 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer04_STD_B3LYPDBJ_def2SVPD.in
 Output=21_phenylethanol_conformer04_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-31049.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     31059.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer04_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:38:33 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer04_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.290197000000      0.748875000000     -0.891176000000
  C                                                -1.648974000000     -0.346953000000     -0.234259000000
  H                                                -1.847181000000      0.897780000000     -1.734096000000
  H                                                -1.837741000000     -1.270698000000     -0.796269000000
  C                                                -2.300915000000     -0.468453000000      1.135040000000
  C                                                -0.150678000000     -0.155244000000     -0.135613000000
  H                                                -3.376843000000     -0.608909000000      1.025779000000
  H                                                -2.123257000000      0.438110000000      1.715196000000
  H                                                -1.885133000000     -1.316357000000      1.680026000000
  C                                                 0.387808000000      1.095483000000      0.166105000000
  C                                                 1.761013000000      1.260318000000      0.290370000000
  C                                                 2.614804000000      0.175587000000      0.119503000000
  C                                                 2.086637000000     -1.073581000000     -0.182153000000
  C                                                 0.711910000000     -1.234195000000     -0.311415000000
  H                                                -0.277717000000      1.939381000000      0.293556000000
  H                                                 2.166838000000      2.236806000000      0.522706000000
  H                                                 3.685054000000      0.305030000000      0.215836000000
  H                                                 2.744500000000     -1.921576000000     -0.323868000000
  H                                                 0.303419000000     -2.208340000000     -0.554934000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 20:38:33 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.290197    0.748875   -0.891176
      2          6           0       -1.648974   -0.346953   -0.234259
      3          1           0       -1.847181    0.897780   -1.734096
      4          1           0       -1.837741   -1.270698   -0.796269
      5          6           0       -2.300915   -0.468453    1.135040
      6          6           0       -0.150678   -0.155244   -0.135613
      7          1           0       -3.376843   -0.608909    1.025779
      8          1           0       -2.123257    0.438110    1.715196
      9          1           0       -1.885133   -1.316357    1.680026
     10          6           0        0.387808    1.095483    0.166105
     11          6           0        1.761013    1.260318    0.290370
     12          6           0        2.614804    0.175587    0.119503
     13          6           0        2.086637   -1.073581   -0.182153
     14          6           0        0.711910   -1.234195   -0.311415
     15          1           0       -0.277717    1.939381    0.293556
     16          1           0        2.166838    2.236806    0.522706
     17          1           0        3.685054    0.305030    0.215836
     18          1           0        2.744500   -1.921576   -0.323868
     19          1           0        0.303419   -2.208340   -0.554934
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.429526   0.000000
     3  H    0.963821   1.959122   0.000000
     4  H    2.071811   1.097631   2.362606   0.000000
     5  C    2.363801   1.521437   3.210048   2.141981   0.000000
     6  C    2.442509   1.513729   2.557759   2.127648   2.517177
     7  H    2.588261   2.154495   3.496697   2.475209   1.090544
     8  H    2.630137   2.154447   3.490721   3.051065   1.090871
     9  H    3.322701   2.158704   4.069407   2.477169   1.090333
    10  C    2.899947   2.527725   2.940243   3.387926   3.257908
    11  C    4.250874   3.806122   4.153187   4.531871   4.494594
    12  C    5.040751   4.310220   4.885356   4.770276   5.060672
    13  C    4.793823   3.805981   4.665803   3.977026   4.620800
    14  C    3.644357   2.523277   3.621917   2.595599   3.428660
    15  H    2.621254   2.717767   2.767584   3.731756   3.255624
    16  H    4.906950   4.670035   4.795675   5.484426   5.258726
    17  H    6.093119   5.392543   5.895694   5.831684   6.105329
    18  H    5.727244   4.667985   5.569654   4.652283   5.449421
    19  H    3.947787   2.716511   3.957712   2.349890   3.558901
                    6          7          8          9         10
     6  C    0.000000
     7  H    3.458726   0.000000
     8  H    2.769229   1.772857   0.000000
     9  H    2.766417   1.775872   1.770902   0.000000
    10  C    1.394747   4.220970   3.022792   3.643513   0.000000
    11  C    2.416576   5.516557   4.218259   4.675979   1.388634
    12  C    2.796860   6.110369   5.006434   4.991048   2.409957
    13  C    2.418902   5.614680   4.858842   4.393360   2.777074
    14  C    1.392516   4.347065   3.865479   3.273717   2.400097
    15  H    2.141910   4.078543   2.771442   3.886633   1.082281
    16  H    3.395021   6.251686   4.802318   5.512062   2.143532
    17  H    3.879202   7.166706   6.000189   5.983288   3.391035
    18  H    3.396678   6.404333   5.781086   5.080884   3.859626
    19  H    2.144117   4.312906   4.248052   3.252759   3.382642
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.390969   0.000000
    13  C    2.403413   1.389380   0.000000
    14  C    2.772248   2.407111   1.390101   0.000000
    15  H    2.148850   3.392336   3.859328   3.378896   0.000000
    16  H    1.082683   2.147526   3.385546   3.854922   2.473221
    17  H    2.149433   1.082345   2.147999   3.389217   4.287272
    18  H    3.386589   2.147438   1.082572   2.145710   4.941862
    19  H    3.856256   3.388285   2.146278   1.084032   4.273318
                   16         17         18         19
    16  H    0.000000
    17  H    2.476067   0.000000
    18  H    4.282817   2.476630   0.000000
    19  H    4.938923   4.283290   2.468704   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.39D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.290197    0.748875   -0.891176
      2          6           0       -1.648974   -0.346953   -0.234259
      3          1           0       -1.847181    0.897780   -1.734096
      4          1           0       -1.837741   -1.270698   -0.796269
      5          6           0       -2.300915   -0.468453    1.135040
      6          6           0       -0.150678   -0.155244   -0.135613
      7          1           0       -3.376843   -0.608909    1.025779
      8          1           0       -2.123257    0.438110    1.715196
      9          1           0       -1.885133   -1.316357    1.680026
     10          6           0        0.387808    1.095483    0.166105
     11          6           0        1.761013    1.260318    0.290370
     12          6           0        2.614804    0.175587    0.119503
     13          6           0        2.086637   -1.073581   -0.182153
     14          6           0        0.711910   -1.234195   -0.311415
     15          1           0       -0.277717    1.939381    0.293556
     16          1           0        2.166838    2.236806    0.522706
     17          1           0        3.685054    0.305030    0.215836
     18          1           0        2.744500   -1.921576   -0.323868
     19          1           0        0.303419   -2.208340   -0.554934
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4873523           1.1087927           0.9832918
 Leave Link  202 at Thu Aug 12 20:38:34 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   281 symmetry adapted cartesian basis functions of A   symmetry.
 There are   263 symmetry adapted basis functions of A   symmetry.
   263 basis functions,   391 primitive gaussians,   281 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.6499884117 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0324376842 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.6175507275 Hartrees.
 Leave Link  301 at Thu Aug 12 20:38:35 2021, MaxMem=  5368709120 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   263 RedAO= T EigKep=  5.28D-06  NBF=   263
 NBsUse=   263 1.00D-06 EigRej= -1.00D+00 NBFU=   263
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   281   281   281   281   281 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 20:38:36 2021, MaxMem=  5368709120 cpu:               3.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:38:36 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer04_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:38:37 2021, MaxMem=  5368709120 cpu:               3.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368546127 LenY=  5368466725
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.867797868295    
 DIIS: error= 3.55D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.867797868295     IErMin= 1 ErrMin= 3.55D-03
 ErrMax= 3.55D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.79D-03 BMatP= 6.79D-03
 IDIUse=3 WtCom= 9.64D-01 WtEn= 3.55D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.235 Goal=   None    Shift=    0.000
 GapD=    0.235 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.13D-02 MaxDP=6.67D-01              OVMax= 2.00D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.46D-02    CP:  1.48D+00
 E= -385.874150552150     Delta-E=       -0.006352683855 Rises=F Damp=F
 DIIS: error= 7.01D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.874150552150     IErMin= 2 ErrMin= 7.01D-04
 ErrMax= 7.01D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-04 BMatP= 6.79D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.01D-03
 Coeff-Com:  0.417D-01 0.958D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.414D-01 0.959D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=9.96D-04 MaxDP=3.39D-02 DE=-6.35D-03 OVMax= 7.77D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.02D-04    CP:  1.50D+00  1.04D+00
 E= -385.873969107324     Delta-E=        0.000181444827 Rises=F Damp=F
 DIIS: error= 1.06D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -385.874150552150     IErMin= 2 ErrMin= 7.01D-04
 ErrMax= 1.06D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.43D-04 BMatP= 2.69D-04
 IDIUse=3 WtCom= 2.35D-01 WtEn= 7.65D-01
 Coeff-Com: -0.152D-01 0.595D+00 0.421D+00
 Coeff-En:   0.000D+00 0.627D+00 0.373D+00
 Coeff:     -0.358D-02 0.620D+00 0.384D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=1.34D-04 MaxDP=4.32D-03 DE= 1.81D-04 OVMax= 4.69D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.80D-05    CP:  1.50D+00  1.04D+00  7.02D-01
 E= -385.874378100139     Delta-E=       -0.000408992815 Rises=F Damp=F
 DIIS: error= 9.72D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.874378100139     IErMin= 4 ErrMin= 9.72D-05
 ErrMax= 9.72D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.81D-06 BMatP= 2.69D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.762D-02 0.218D+00 0.125D+00 0.665D+00
 Coeff:     -0.762D-02 0.218D+00 0.125D+00 0.665D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=3.60D-05 MaxDP=1.12D-03 DE=-4.09D-04 OVMax= 5.29D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.76D-05    CP:  1.50D+00  1.04D+00  6.74D-01  1.02D+00
 E= -385.874381542741     Delta-E=       -0.000003442601 Rises=F Damp=F
 DIIS: error= 3.88D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.874381542741     IErMin= 5 ErrMin= 3.88D-05
 ErrMax= 3.88D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.76D-07 BMatP= 3.81D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.170D-02 0.231D-01 0.222D-02 0.317D+00 0.659D+00
 Coeff:     -0.170D-02 0.231D-01 0.222D-02 0.317D+00 0.659D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=2.54D-05 MaxDP=7.94D-04 DE=-3.44D-06 OVMax= 2.72D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.03D-05    CP:  1.50D+00  1.04D+00  6.82D-01  1.00D+00  7.18D-01
 E= -385.874382104561     Delta-E=       -0.000000561821 Rises=F Damp=F
 DIIS: error= 8.77D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.874382104561     IErMin= 6 ErrMin= 8.77D-06
 ErrMax= 8.77D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.24D-08 BMatP= 5.76D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.625D-03 0.428D-02-0.348D-02 0.144D+00 0.355D+00 0.501D+00
 Coeff:     -0.625D-03 0.428D-02-0.348D-02 0.144D+00 0.355D+00 0.501D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=3.47D-06 MaxDP=1.04D-04 DE=-5.62D-07 OVMax= 1.34D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.02D-06    CP:  1.50D+00  1.04D+00  6.82D-01  1.00D+00  7.52D-01
                    CP:  8.67D-01
 E= -385.874382154960     Delta-E=       -0.000000050398 Rises=F Damp=F
 DIIS: error= 3.89D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.874382154960     IErMin= 7 ErrMin= 3.89D-06
 ErrMax= 3.89D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.73D-09 BMatP= 5.24D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.458D-04-0.181D-02-0.249D-02 0.251D-01 0.853D-01 0.298D+00
 Coeff-Com:  0.596D+00
 Coeff:     -0.458D-04-0.181D-02-0.249D-02 0.251D-01 0.853D-01 0.298D+00
 Coeff:      0.596D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=1.41D-06 MaxDP=3.47D-05 DE=-5.04D-08 OVMax= 4.29D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.18D-07    CP:  1.50D+00  1.04D+00  6.82D-01  1.01D+00  7.50D-01
                    CP:  8.83D-01  7.29D-01
 E= -385.874382163807     Delta-E=       -0.000000008847 Rises=F Damp=F
 DIIS: error= 6.69D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.874382163807     IErMin= 8 ErrMin= 6.69D-07
 ErrMax= 6.69D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-10 BMatP= 7.73D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.165D-04-0.103D-02-0.820D-03 0.192D-02 0.156D-01 0.999D-01
 Coeff-Com:  0.268D+00 0.616D+00
 Coeff:      0.165D-04-0.103D-02-0.820D-03 0.192D-02 0.156D-01 0.999D-01
 Coeff:      0.268D+00 0.616D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=3.06D-07 MaxDP=8.32D-06 DE=-8.85D-09 OVMax= 7.03D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.31D-07    CP:  1.50D+00  1.04D+00  6.82D-01  1.01D+00  7.49D-01
                    CP:  8.85D-01  7.46D-01  7.76D-01
 E= -385.874382164074     Delta-E=       -0.000000000267 Rises=F Damp=F
 DIIS: error= 3.08D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.874382164074     IErMin= 9 ErrMin= 3.08D-07
 ErrMax= 3.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.17D-11 BMatP= 2.87D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.131D-04-0.366D-03-0.175D-03-0.161D-02-0.463D-03 0.241D-01
 Coeff-Com:  0.874D-01 0.335D+00 0.556D+00
 Coeff:      0.131D-04-0.366D-03-0.175D-03-0.161D-02-0.463D-03 0.241D-01
 Coeff:      0.874D-01 0.335D+00 0.556D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=1.06D-07 MaxDP=2.58D-06 DE=-2.67D-10 OVMax= 2.08D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.26D-08    CP:  1.50D+00  1.04D+00  6.82D-01  1.01D+00  7.50D-01
                    CP:  8.87D-01  7.44D-01  7.71D-01  6.74D-01
 E= -385.874382164122     Delta-E=       -0.000000000048 Rises=F Damp=F
 DIIS: error= 3.12D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.874382164122     IErMin=10 ErrMin= 3.12D-08
 ErrMax= 3.12D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.55D-13 BMatP= 4.17D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.350D-05-0.606D-04-0.109D-04-0.645D-03-0.116D-02 0.181D-02
 Coeff-Com:  0.127D-01 0.757D-01 0.191D+00 0.721D+00
 Coeff:      0.350D-05-0.606D-04-0.109D-04-0.645D-03-0.116D-02 0.181D-02
 Coeff:      0.127D-01 0.757D-01 0.191D+00 0.721D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=2.29D-08 MaxDP=4.77D-07 DE=-4.81D-11 OVMax= 5.29D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.53D-08    CP:  1.50D+00  1.04D+00  6.82D-01  1.01D+00  7.50D-01
                    CP:  8.87D-01  7.46D-01  7.85D-01  6.94D-01  8.58D-01
 E= -385.874382164111     Delta-E=        0.000000000011 Rises=F Damp=F
 DIIS: error= 1.92D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -385.874382164122     IErMin=11 ErrMin= 1.92D-08
 ErrMax= 1.92D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.52D-13 BMatP= 9.55D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.985D-06-0.764D-05 0.608D-05-0.245D-03-0.606D-03-0.556D-03
 Coeff-Com:  0.137D-02 0.196D-01 0.658D-01 0.395D+00 0.520D+00
 Coeff:      0.985D-06-0.764D-05 0.608D-05-0.245D-03-0.606D-03-0.556D-03
 Coeff:      0.137D-02 0.196D-01 0.658D-01 0.395D+00 0.520D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=7.39D-09 MaxDP=1.77D-07 DE= 1.13D-11 OVMax= 3.00D-07

 SCF Done:  E(RB3LYP) =  -385.874382164     A.U. after   11 cycles
            NFock= 11  Conv=0.74D-08     -V/T= 2.0112
 KE= 3.816081927607D+02 PE=-1.746263991142D+03 EE= 5.531638654901D+02
 Leave Link  502 at Thu Aug 12 20:39:50 2021, MaxMem=  5368709120 cpu:             584.3 elap:              73.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   263
 NBasis=   263 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    263 NOA=    33 NOB=    33 NVA=   230 NVB=   230

 **** Warning!!: The largest alpha MO coefficient is  0.79104342D+02

 Leave Link  801 at Thu Aug 12 20:39:51 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5740 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.26D-13 8.33D-09 XBig12= 1.00D+00 5.15D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.26D-13 8.33D-09 XBig12= 4.08D-01 1.07D-01.
     11 vectors produced by pass  2 Test12= 1.26D-13 8.33D-09 XBig12= 4.98D-02 5.83D-02.
     11 vectors produced by pass  3 Test12= 1.26D-13 8.33D-09 XBig12= 2.78D-03 1.48D-02.
     11 vectors produced by pass  4 Test12= 1.26D-13 8.33D-09 XBig12= 3.36D-04 6.28D-03.
     11 vectors produced by pass  5 Test12= 1.26D-13 8.33D-09 XBig12= 1.51D-05 4.87D-04.
     11 vectors produced by pass  6 Test12= 1.26D-13 8.33D-09 XBig12= 3.33D-07 1.07D-04.
     11 vectors produced by pass  7 Test12= 1.26D-13 8.33D-09 XBig12= 4.50D-09 7.93D-06.
     10 vectors produced by pass  8 Test12= 1.26D-13 8.33D-09 XBig12= 5.34D-11 1.38D-06.
      7 vectors produced by pass  9 Test12= 1.26D-13 8.33D-09 XBig12= 4.20D-13 1.08D-07.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   105 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.129064D+03
      2  0.771688D+00  0.103784D+03
      3  0.731508D+00  0.515564D+01  0.730160D+02
 Isotropic polarizability for W=    0.085645      101.95 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.955279D+02  0.407123D+01  0.654426D+01
      2  -0.309449D+02 -0.119738D+02 -0.151308D+02
      3  -0.645830D+02  0.790252D+01  0.858658D+01
      4  -0.137063D+02  0.819267D+02  0.309622D+02
      5   0.322329D+02  0.321975D+02 -0.240578D+02
      6   0.130916D+02  0.938490D+01 -0.613928D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.130897D+01  0.598070D+01  0.441525D+01
      2   0.246157D+01  0.134458D+02 -0.805560D+01
      3  -0.840712D+01 -0.415459D+02 -0.133169D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.123526D+01  0.245157D+02  0.140418D+02
      2  -0.256887D+02  0.178706D+02  0.405251D+02
      3  -0.177776D+02 -0.112872D+03 -0.191059D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.373240D+00 -0.225719D+01  0.530997D+00
      2  -0.225719D+01 -0.284529D+01  0.335706D+01
      3   0.530997D+00  0.335706D+01  0.129193D+01
 OR G Eigenvalues:    -5.5638     1.0445     3.3392  Iso=     0.3934
 Eigenvectors:
   (1)   0.353878   0.828876  -0.433284
   (2)   0.898142  -0.171891   0.404715
   (3)  -0.260981   0.532371   0.805276
 w=    0.085645 a.u., Optical Rotation Beta=      0.3934 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =      152.71 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   34716 ScalPx= 5.17D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.75D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.11D-14 2.78D-09 XBig12= 1.00D+00 4.54D-01.
     30 vectors produced by pass  1 Test12= 2.11D-14 2.78D-09 XBig12= 2.97D-02 4.32D-02.
     30 vectors produced by pass  2 Test12= 2.11D-14 2.78D-09 XBig12= 7.99D-04 3.95D-03.
     30 vectors produced by pass  3 Test12= 2.11D-14 2.78D-09 XBig12= 6.87D-06 5.49D-04.
     30 vectors produced by pass  4 Test12= 2.11D-14 2.78D-09 XBig12= 7.52D-08 4.89D-05.
     30 vectors produced by pass  5 Test12= 2.11D-14 2.78D-09 XBig12= 3.41D-10 2.00D-06.
     30 vectors produced by pass  6 Test12= 2.11D-14 2.78D-09 XBig12= 7.08D-13 1.03D-07.
      2 vectors produced by pass  7 Test12= 2.11D-14 2.78D-09 XBig12= 1.23D-15 4.45D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   212 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 1.26D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 1.26D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.70D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129064D+03  0.771688D+00  0.731508D+00
      2   0.771688D+00  0.103784D+03  0.515564D+01
      3   0.731508D+00  0.515564D+01  0.730160D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.130897D+01  0.598070D+01  0.441525D+01
      2   0.246157D+01  0.134458D+02 -0.805560D+01
      3  -0.840712D+01 -0.415459D+02 -0.133169D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.955279D+02  0.407123D+01  0.654426D+01
      2  -0.309449D+02 -0.119738D+02 -0.151308D+02
      3  -0.645830D+02  0.790252D+01  0.858658D+01
      4  -0.137063D+02  0.819267D+02  0.309622D+02
      5   0.322329D+02  0.321975D+02 -0.240578D+02
      6   0.130916D+02  0.938490D+01 -0.613928D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.658808D+01  0.210803D+01 -0.132008D+01  0.413365D+01 -0.235306D+01
      2   0.210803D+01 -0.119873D+01  0.191758D+01 -0.235306D+01  0.124605D+01
      3  -0.132008D+01  0.191758D+01 -0.369493D+01  0.150078D+01 -0.131332D+01
                 6             7             8             9            10 
      1   0.150078D+01  0.657438D+00  0.939583D+00 -0.261710D+01  0.687331D+01
      2  -0.131332D+01  0.939583D+00  0.123088D+01 -0.843408D+00  0.371495D+00
      3  -0.322601D+00 -0.261710D+01 -0.843408D+00  0.410733D+01 -0.108532D+01
                11            12            13            14            15 
      1   0.371495D+00 -0.108532D+01 -0.317997D+00  0.308160D+01 -0.184883D+01
      2   0.662605D+00 -0.137120D+01  0.308160D+01  0.428079D+01  0.402007D+01
      3  -0.137120D+01  0.241284D+01 -0.184883D+01  0.402007D+01  0.985042D+00
                16            17            18            19            20 
      1  -0.465574D+01 -0.153878D+01  0.509758D+01  0.123380D+01  0.540953D-01
      2  -0.153878D+01  0.255155D+01  0.195842D+01  0.540953D-01  0.575404D+00
      3   0.509758D+01  0.195842D+01 -0.147390D+01 -0.448085D+00 -0.108019D+01
                21            22            23            24            25 
      1  -0.448085D+00  0.217706D+00 -0.287654D+00 -0.889527D-01 -0.188344D+01
      2  -0.108019D+01 -0.287654D+00  0.137721D+01 -0.128773D+01  0.129231D+00
      3   0.269907D+01 -0.889527D-01 -0.128773D+01  0.159534D+01 -0.496107D-01
                26            27            28            29            30 
      1   0.129231D+00 -0.496107D-01 -0.724705D+00 -0.146832D+01 -0.533879D+00
      2  -0.181447D+01  0.230390D+01 -0.146832D+01 -0.104541D+01 -0.364222D+00
      3   0.230390D+01 -0.761828D+01 -0.533879D+00 -0.364222D+00 -0.928952D+00
                31            32            33            34            35 
      1  -0.310969D+01 -0.213970D+01 -0.553244D+00 -0.605536D+00 -0.679551D+00
      2  -0.213970D+01 -0.615432D+01 -0.232894D+01 -0.679551D+00 -0.248539D+01
      3  -0.553244D+00 -0.232894D+01 -0.229515D+01 -0.134586D+01 -0.205655D+01
                36            37            38            39            40 
      1  -0.134586D+01  0.960896D+01  0.173828D+01  0.186747D-01  0.150472D+01
      2  -0.205655D+01  0.173828D+01 -0.182655D+01  0.100214D+01 -0.160267D+01
      3  -0.217466D+01  0.186747D-01  0.100214D+01 -0.286746D+01  0.126266D+01
                41            42            43            44            45 
      1  -0.160267D+01  0.126266D+01  0.631240D+01  0.157192D+01 -0.418777D+01
      2  -0.264692D+00 -0.455193D+01  0.157192D+01 -0.323714D+01 -0.116231D+01
      3  -0.455193D+01 -0.508646D+00 -0.418777D+01 -0.116231D+01  0.100193D+01
                46            47            48            49            50 
      1  -0.199146D+02 -0.200130D+01 -0.212366D-01 -0.359090D+01  0.131003D+01
      2  -0.200130D+01 -0.258728D+01  0.323889D+00  0.131003D+01 -0.526068D+00
      3  -0.212366D-01  0.323889D+00 -0.229585D+01  0.116830D+01 -0.269688D+00
                51            52            53            54            55 
      1   0.116830D+01 -0.920822D+00  0.119280D+01 -0.437815D+01 -0.147551D+02
      2  -0.269688D+00  0.119280D+01 -0.564481D+00 -0.541620D+00 -0.182444D+01
      3  -0.136873D+00 -0.437815D+01 -0.541620D+00 -0.647069D+00  0.173825D+01
                56            57            58            59            60 
      1  -0.182444D+01  0.173825D+01 -0.178588D+01 -0.157336D+01  0.217862D+00
      2  -0.116502D+01  0.221211D+00 -0.157336D+01 -0.597274D+00  0.598569D+00
      3   0.221211D+00 -0.152031D+01  0.217862D+00  0.598569D+00 -0.238118D+00
                61            62            63            64            65 
      1  -0.155006D+01 -0.289723D+00 -0.694207D+00 -0.314135D+00  0.641818D+00
      2  -0.289723D+00  0.788535D-01 -0.681252D-01  0.641818D+00  0.393056D+00
      3  -0.694207D+00 -0.681252D-01 -0.175031D+00  0.229410D+00  0.462321D-01
                66            67            68            69            70 
      1   0.229410D+00  0.186605D+01 -0.151959D+00 -0.841002D+00  0.604807D+00
      2   0.462321D-01 -0.151959D+00  0.366177D+01  0.247851D+01 -0.313198D+00
      3   0.913336D+00 -0.841002D+00  0.247851D+01  0.317096D+01 -0.124831D+00
                71            72            73            74            75 
      1  -0.313198D+00 -0.124831D+00 -0.123744D+00 -0.971020D+00  0.557393D+00
      2   0.202295D+01  0.166020D+01 -0.971020D+00  0.121422D+01 -0.851662D+00
      3   0.166020D+01  0.334545D+01  0.557393D+00 -0.851662D+00  0.156960D+01
                76            77            78            79            80 
      1  -0.144128D+01  0.266244D+00 -0.476379D-01  0.324338D+00 -0.233803D+00
      2   0.266244D+00 -0.412693D+01  0.274908D+01 -0.233803D+00  0.209302D+01
      3  -0.476379D-01  0.274908D+01 -0.256896D+01  0.337645D+00 -0.180540D+01
                81            82            83            84            85 
      1   0.337645D+00  0.457843D+01 -0.698231D+00  0.336179D+00  0.900694D+01
      2  -0.180540D+01 -0.698231D+00 -0.316915D+01 -0.665604D+00  0.939026D-01
      3   0.296528D+01  0.336179D+00 -0.665604D+00 -0.142924D+01  0.534171D+00
                86            87            88            89            90 
      1   0.939026D-01  0.534171D+00  0.292860D+01 -0.124236D+00 -0.177239D+01
      2   0.147048D+01 -0.893280D+00 -0.124236D+00 -0.151825D+01  0.311729D+01
      3  -0.893280D+00  0.174881D+01 -0.177239D+01  0.311729D+01  0.118247D+01
                91            92            93            94            95 
      1  -0.478458D+01 -0.625299D+00 -0.294494D+00  0.524032D+01  0.802299D-01
      2  -0.625299D+00  0.224446D+01 -0.244601D+00  0.802299D-01  0.992706D+00
      3  -0.294494D+00 -0.244601D+00  0.785978D+00 -0.292672D+00 -0.100768D+01
                96            97            98            99           100 
      1  -0.292672D+00  0.506180D+00 -0.756725D+00  0.191300D+01  0.590032D+01
      2  -0.100768D+01 -0.756725D+00 -0.129419D+01  0.365519D+01  0.347421D+00
      3   0.143828D+01  0.191300D+01  0.365519D+01  0.237354D+01 -0.392328D+00
               101           102           103           104           105 
      1   0.347421D+00 -0.392328D+00  0.886327D+00 -0.315553D+00 -0.111578D+01
      2   0.321816D+01  0.195599D+00 -0.315553D+00  0.262990D+00 -0.461657D+00
      3   0.195599D+00  0.223375D+01 -0.111578D+01 -0.461657D+00  0.164809D+00
               106           107           108           109           110 
      1  -0.216897D-01 -0.116768D+01  0.533643D+01 -0.322886D+01 -0.683956D+00
      2  -0.116768D+01  0.640004D-01  0.487421D+00 -0.683956D+00  0.253172D+01
      3   0.533643D+01  0.487421D+00  0.880932D+00 -0.494466D+00  0.767963D+00
               111           112           113           114           115 
      1  -0.494466D+00 -0.583197D+01 -0.100614D+01 -0.107003D+01 -0.189539D+01
      2   0.767963D+00 -0.100614D+01 -0.825989D+00  0.110273D+01 -0.678979D+00
      3   0.137615D+01 -0.107003D+01  0.110273D+01 -0.146736D+01  0.281072D+01
               116           117           118           119           120 
      1  -0.678979D+00  0.281072D+01  0.652047D+01  0.245025D+01  0.900885D+00
      2   0.168037D+01 -0.310834D+01  0.245025D+01 -0.222761D+01 -0.193388D+00
      3  -0.310834D+01 -0.122944D+01  0.900885D+00 -0.193388D+00 -0.513695D+00
               121           122           123           124           125 
      1  -0.734507D+01 -0.531082D+00  0.147199D+00 -0.686836D+00  0.105078D+01
      2  -0.531082D+00 -0.161885D+01  0.117641D+01  0.105078D+01  0.122313D+01
      3   0.147199D+00  0.117641D+01 -0.165570D+01 -0.980215D+00 -0.350847D+01
               126           127           128           129           130 
      1  -0.980215D+00 -0.327014D+01  0.230443D+01  0.240937D+00  0.241300D+01
      2  -0.350847D+01  0.230443D+01 -0.276885D+01 -0.313940D+00 -0.286160D+01
      3  -0.267008D+01  0.240937D+00 -0.313940D+00 -0.441567D+00 -0.522689D+00
               131           132           133           134           135 
      1  -0.286160D+01 -0.522689D+00  0.245162D+00 -0.463995D+00 -0.789630D-02
      2   0.597916D+01  0.828473D+00 -0.463995D+00  0.104099D+01  0.206894D+00
      3   0.828473D+00  0.826651D+00 -0.789630D-02  0.206894D+00  0.196862D+00
               136           137           138           139           140 
      1   0.231062D+01  0.266321D+01  0.655033D+00  0.235111D+01  0.381729D+01
      2   0.266321D+01  0.286949D+01  0.660191D+00  0.381729D+01  0.943369D+01
      3   0.655033D+00  0.660191D+00  0.488684D+00  0.850721D+00  0.194569D+01
               141           142           143           144           145 
      1   0.850721D+00  0.683173D+00  0.959365D+00  0.280624D+00  0.132720D+02
      2   0.194569D+01  0.959365D+00  0.209093D+01  0.576303D+00  0.126286D+01
      3   0.128028D+01  0.280624D+00  0.576303D+00  0.364049D+00  0.979117D+00
               146           147           148           149           150 
      1   0.126286D+01  0.979117D+00  0.115946D+01  0.169603D+01  0.396239D+00
      2   0.899776D+00  0.750357D-01  0.169603D+01  0.470708D+00  0.152205D+00
      3   0.750357D-01  0.971681D+00  0.396239D+00  0.152205D+00  0.152032D+00
               151           152           153           154           155 
      1   0.104034D+01  0.388925D+00  0.211073D+00  0.499010D+01 -0.391865D+01
      2   0.388925D+00  0.118364D+00  0.398826D-01 -0.391865D+01  0.358389D+01
      3   0.211073D+00  0.398826D-01  0.161085D+00 -0.592911D+00  0.453419D+00
               156           157           158           159           160 
      1  -0.592911D+00 -0.377249D+01  0.450102D+01  0.800874D+00 -0.605109D+00
      2   0.453419D+00  0.450102D+01 -0.668345D+01 -0.104256D+01  0.690453D+00
      3   0.609106D+00  0.800874D+00 -0.104256D+01 -0.911074D+00  0.237512D+00
               161           162           163           164           165 
      1   0.690453D+00  0.237512D+00 -0.158409D+01 -0.175067D+01 -0.473075D+00
      2  -0.124681D+01 -0.302239D+00 -0.175067D+01 -0.220418D+01 -0.578463D+00
      3  -0.302239D+00 -0.207848D+00 -0.473075D+00 -0.578463D+00 -0.368191D+00
               166           167           168           169           170 
      1  -0.158401D+01 -0.202358D+01 -0.497972D+00 -0.477821D+00 -0.676383D+00
      2  -0.202358D+01 -0.837797D+01 -0.189494D+01 -0.676383D+00 -0.203432D+01
      3  -0.497972D+00 -0.189494D+01 -0.125774D+01 -0.665474D-01 -0.609046D+00
               171 
      1  -0.665474D-01
      2  -0.609046D+00
      3  -0.382620D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.567941D+00  0.287149D+01  0.272408D+01  0.169866D+00 -0.332550D+01
      2  -0.440934D+01 -0.396819D+01  0.134389D+02 -0.330299D+00  0.526164D+00
      3   0.392512D+01 -0.993296D+01  0.575284D+01 -0.289079D+01  0.507891D+01
                 6             7             8             9            10 
      1  -0.258365D+01 -0.145581D+01  0.435589D+01 -0.569085D+01 -0.124132D+01
      2   0.161595D+01  0.595942D+01  0.430713D+01 -0.115602D+02  0.426750D+01
      3  -0.253811D+01  0.305985D+01  0.137207D+01 -0.448764D+01 -0.282132D+01
                11            12            13            14            15 
      1  -0.331571D+00 -0.146296D+00  0.199872D+01  0.353939D+01 -0.370572D+00
      2   0.201778D+01 -0.279939D+01  0.486190D+00 -0.787807D+01 -0.222172D+01
      3   0.579374D+00 -0.678153D+00  0.128524D+02  0.554532D+01  0.969769D+01
                16            17            18            19            20 
      1   0.420292D+01  0.315500D+01 -0.741264D+00 -0.185459D+00 -0.454895D+00
      2  -0.168329D+02 -0.541339D+01  0.278057D+01  0.555652D+01  0.225433D+01
      3   0.397522D+00  0.948220D+01  0.132888D+01  0.223433D+01  0.206976D+01
                21            22            23            24            25 
      1  -0.218985D+01 -0.249804D+00 -0.884026D-01 -0.132456D+01 -0.554123D+00
      2  -0.638602D+01  0.382831D+00  0.265404D+01 -0.418707D+01 -0.534386D+01
      3  -0.315435D+01  0.167919D+01  0.288351D+01 -0.274396D+01 -0.121269D+01
                26            27            28            29            30 
      1   0.948340D+00  0.499045D+01 -0.532222D+00 -0.231183D+00 -0.103258D+01
      2  -0.585611D+01  0.176397D+02  0.912303D+00  0.376280D+00  0.249250D+01
      3  -0.380642D+01  0.821289D+01 -0.334068D+01 -0.243349D+01 -0.530659D+00
                31            32            33            34            35 
      1  -0.484965D+00  0.594395D+00 -0.356115D+01 -0.933683D+00  0.423712D+00
      2  -0.202683D+00  0.411066D+01  0.454362D+01  0.745824D+00  0.292724D+01
      3   0.115601D+01 -0.120879D+02 -0.474264D+01  0.195807D+00 -0.485779D+01
                36            37            38            39            40 
      1  -0.224775D+01  0.280568D+01 -0.337877D+01 -0.353110D+00 -0.888883D-01
      2   0.366911D+01 -0.128666D+02 -0.467595D+01  0.110055D+02 -0.353495D+01
      3  -0.298450D+01  0.112508D+01 -0.970732D+01  0.175097D+01 -0.222867D+01
                41            42            43            44            45 
      1  -0.247649D+01 -0.103655D+02 -0.208939D+01 -0.480853D+01 -0.827446D-01
      2   0.144386D+02  0.358256D+00  0.664477D+01  0.243836D+01  0.142432D+01
      3  -0.216458D-01 -0.150012D+02 -0.541042D+00 -0.132668D+02 -0.152732D+00
                46            47            48            49            50 
      1  -0.756200D+00 -0.854098D-01  0.319510D+00 -0.110548D+01 -0.354172D+01
      2  -0.446428D+01 -0.899255D+00 -0.120825D+01 -0.184197D+01  0.721312D+00
      3   0.129238D+01  0.663706D+01  0.905580D+00  0.196324D+02  0.180367D+01
                51            52            53            54            55 
      1   0.809869D+00 -0.741141D+00  0.102283D+02  0.211087D+01 -0.997413D+00
      2   0.107210D+00 -0.147982D+02  0.449881D+00 -0.727112D+00  0.103642D+02
      3  -0.130263D+01  0.418805D+00 -0.293041D+00  0.502988D+00  0.275165D+01
                56            57            58            59            60 
      1  -0.186610D+01 -0.113699D+01 -0.165917D+01 -0.163719D+00 -0.206594D+00
      2   0.127398D+01  0.600922D+01  0.136269D+01 -0.387887D+00  0.900509D+00
      3  -0.547994D+01 -0.195560D+00 -0.229743D+01 -0.929788D+00  0.162521D+01
                61            62            63            64            65 
      1  -0.507374D+00  0.953154D+00 -0.291386D+00  0.172746D+01  0.135328D+01
      2   0.147802D+01  0.124231D+00  0.133767D+01 -0.164238D+01 -0.121022D+01
      3  -0.129176D+00  0.131708D+01  0.387509D+00  0.280392D+01  0.111003D+01
                66            67            68            69            70 
      1   0.124574D+00  0.489255D+00  0.789219D+01  0.315675D+01 -0.255843D+00
      2  -0.198293D+01 -0.153459D+01 -0.724588D+01 -0.745532D+01 -0.198473D+01
      3   0.150271D+00  0.206691D+01  0.107885D+02  0.708947D+01 -0.490065D+00
                71            72            73            74            75 
      1   0.547964D+01  0.370531D+01 -0.139075D+01  0.199652D+01  0.513354D+00
      2  -0.435970D+01 -0.793488D+01 -0.298654D+01  0.296858D+01 -0.336625D+01
      3   0.588732D+01  0.465429D+01 -0.367480D+01  0.364584D+01 -0.218505D+01
                76            77            78            79            80 
      1   0.103409D+01 -0.465797D+01  0.416902D+00  0.289042D+00  0.350466D+01
      2   0.296880D+01 -0.785519D+01  0.639114D+01 -0.323518D+01  0.489320D+01
      3   0.417042D+01 -0.104064D+02  0.705203D+01 -0.985055D+00  0.556307D+01
                81            82            83            84            85 
      1  -0.365186D+00 -0.248040D+00 -0.203847D+00  0.227347D+01 -0.958397D+00
      2  -0.743230D+01  0.207044D+01  0.380188D+00 -0.101423D+01  0.406024D+01
      3  -0.511041D+01 -0.660727D+00  0.130698D+00  0.670374D+00  0.116753D+01
                86            87            88            89            90 
      1   0.349587D+00 -0.222382D+01  0.760065D+01  0.333230D+01  0.756952D+00
      2   0.552885D+00  0.106005D+01 -0.124686D+02  0.243894D+00  0.976787D-01
      3  -0.721605D+01  0.764832D+00 -0.185996D+01 -0.813480D-01 -0.651450D+01
                91            92            93            94            95 
      1  -0.374651D-01  0.109908D+01 -0.194764D+01  0.140356D+01 -0.161673D+00
      2  -0.662632D+00  0.229898D+01  0.115080D+01  0.132781D+01 -0.278688D+01
      3   0.310826D+01 -0.131694D+02 -0.208848D+01  0.317289D+01 -0.351232D+00
                96            97            98            99           100 
      1  -0.227681D+01 -0.515079D+01  0.674224D+00 -0.112750D+01  0.366879D+00
      2   0.344010D+01 -0.808179D+01  0.870350D+01  0.407835D+01  0.381543D+00
      3   0.172791D+01 -0.151137D-01  0.308445D+01 -0.426140D+01 -0.269742D+01
               101           102           103           104           105 
      1  -0.768339D+00 -0.686265D+00 -0.111616D+01 -0.246433D+01  0.673157D+00
      2  -0.121777D+00  0.582588D+01 -0.459390D+01  0.450781D-03  0.647019D+00
      3  -0.634676D+01 -0.767757D-01  0.121883D+02 -0.158812D+01  0.101967D+01
               106           107           108           109           110 
      1  -0.202367D+01  0.114862D+02  0.270860D+01 -0.400421D+00 -0.597393D+00
      2   0.735556D+01  0.240964D+01  0.185143D+01 -0.100249D+01  0.173478D+01
      3   0.327016D+01  0.638588D+00 -0.105029D+01  0.410895D+01 -0.105116D+02
               111           112           113           114           115 
      1   0.218538D+01 -0.143598D+01 -0.293266D+00 -0.152996D+01  0.690146D+01
      2   0.266362D+01 -0.102616D+01  0.311484D+01 -0.390886D+01 -0.365956D+01
      3  -0.173220D+01  0.743229D+01  0.713131D+00 -0.183388D+01  0.231295D+00
               116           117           118           119           120 
      1   0.351499D+01  0.117981D+01  0.992938D-01  0.105905D+01 -0.140953D+01
      2  -0.102350D+02 -0.334676D+01  0.339163D+01  0.147259D+01 -0.538396D+00
      3  -0.318955D+01  0.444234D+01 -0.553449D+01 -0.359082D+01 -0.205023D+01
               121           122           123           124           125 
      1   0.113981D+01  0.839922D+00 -0.226176D+01 -0.535423D+01  0.120394D+01
      2   0.194238D+01 -0.597356D+00 -0.101908D+01 -0.137141D+02 -0.135212D+01
      3   0.238981D+01  0.660626D+01  0.654049D-02 -0.207033D+01 -0.117363D+01
               126           127           128           129           130 
      1  -0.560134D+00  0.214324D+00 -0.585451D+00  0.226707D+01  0.203741D+00
      2  -0.279028D+01  0.159912D+01 -0.735335D+00  0.670810D+00 -0.758553D+00
      3   0.529835D+01 -0.896916D+01  0.366837D+01  0.242774D+00  0.637115D+01
               131           132           133           134           135 
      1  -0.561381D-01 -0.304421D+01 -0.189685D+00  0.183457D+01 -0.131321D+00
      2   0.112470D+01 -0.108112D+01 -0.155347D+01  0.436960D+00 -0.291493D+00
      3  -0.514211D+01 -0.119632D+01 -0.256301D+00 -0.106900D+01 -0.160067D+00
               136           137           138           139           140 
      1  -0.174233D+00  0.635907D-01 -0.165339D+01 -0.153979D+00  0.514281D+00
      2   0.259574D+00  0.509654D+00  0.157958D+01  0.506174D+00  0.274075D+01
      3  -0.776169D+00 -0.239074D+01 -0.371922D+00 -0.145204D+01 -0.134653D+02
               141           142           143           144           145 
      1  -0.422670D+01  0.560533D+00  0.173284D+01 -0.676172D+00 -0.106767D+00
      2   0.327699D+01 -0.391939D+00  0.154634D+00  0.794479D+00  0.113137D+01
      3  -0.254947D+01 -0.385463D+00 -0.315171D+01 -0.702269D+00 -0.743872D+00
               146           147           148           149           150 
      1   0.364677D+00 -0.577108D+00  0.825689D-01  0.304726D-01 -0.382369D+00
      2  -0.433951D-01  0.611404D+01  0.143056D+01  0.344740D+00  0.848501D+00
      3  -0.522903D+01  0.800070D-01 -0.404906D+01 -0.132715D+01 -0.389332D+00
               151           152           153           154           155 
      1   0.326475D+00  0.455724D+00 -0.196732D-01  0.153954D+00 -0.537840D+00
      2  -0.226463D+01 -0.124988D+00  0.400334D+00 -0.929948D-02  0.152118D-01
      3  -0.941108D+00 -0.657745D+00 -0.200424D-01  0.146467D+01 -0.463069D+01
               156           157           158           159           160 
      1   0.219466D+01  0.267784D+00  0.203342D+00 -0.323900D+01 -0.793379D+00
      2   0.277817D+01  0.819334D+00 -0.145995D+01 -0.338947D+01 -0.610252D+00
      3  -0.225330D+00 -0.353918D+01  0.110104D+02  0.137751D+01 -0.951272D+00
               161           162           163           164           165 
      1   0.136754D+01 -0.343626D+00  0.134758D+00  0.233098D+00 -0.146933D+01
      2   0.367550D+00 -0.432830D+00 -0.152518D+01 -0.107041D+01  0.737544D-01
      3   0.210675D+01  0.330681D+00  0.601681D+01  0.368844D+01  0.115952D+01
               166           167           168           169           170 
      1   0.979422D-01  0.687805D+00 -0.396728D+01  0.555546D+00  0.205068D+01
      2  -0.146392D+01 -0.211792D+01  0.732918D-01 -0.177663D+01 -0.501421D+00
      3   0.671003D+01  0.849246D+01  0.229860D+01  0.226414D+01  0.209549D+01
               171 
      1  -0.598000D+00
      2   0.802449D-01
      3   0.285932D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.275111D+02 -0.180373D+01 -0.268267D+01 -0.901990D+01  0.279777D+01
      2  -0.158233D+02 -0.117579D+01 -0.635959D+01  0.369093D+01  0.798815D+01
      3  -0.116878D+02  0.297952D+01  0.904226D+01  0.532897D+01 -0.107859D+02
      4  -0.148970D+02  0.155270D+02 -0.744971D+01  0.200339D+02 -0.119889D+02
      5   0.125735D+02 -0.867793D+01  0.235955D+02 -0.120473D+02  0.897143D+01
      6  -0.492452D+01  0.446261D+01 -0.705117D+01  0.747643D+01 -0.392028D+01
                 6             7             8             9            10 
      1  -0.619217D+01 -0.114651D+01 -0.335241D+01  0.190054D+02  0.511961D+01
      2   0.253892D+01 -0.280205D+01 -0.258771D+01 -0.496546D+01  0.979628D+00
      3   0.365325D+01  0.394856D+01  0.594012D+01 -0.140399D+02 -0.609924D+01
      4   0.875302D+01 -0.610274D+01 -0.277356D+00 -0.593322D+00  0.351572D+01
      5  -0.379285D+01  0.200708D+02  0.836839D+00 -0.686081D+01  0.497261D+01
      6   0.567444D+01 -0.361716D+01  0.173345D+01  0.515449D+01  0.281991D+01
                11            12            13            14            15 
      1   0.175584D+01 -0.222921D+01  0.113938D+02  0.227623D+01  0.749700D+01
      2   0.387883D+00 -0.207184D+01 -0.836922D+01 -0.945500D+01 -0.131739D+02
      3  -0.214372D+01  0.430105D+01 -0.302455D+01  0.717878D+01  0.567689D+01
      4  -0.105979D+02  0.478979D+01 -0.179635D+02 -0.158774D+02 -0.196144D+02
      5   0.501199D+01 -0.162411D+02  0.142469D+02 -0.184345D+02 -0.839671D+00
      6  -0.906625D+00 -0.647210D-02 -0.757410D+01 -0.963187D+01 -0.682390D+01
                16            17            18            19            20 
      1   0.502262D+01  0.706022D+01 -0.740350D+01 -0.286990D+01 -0.369988D+01
      2  -0.106428D+02 -0.583343D+01  0.807414D+01  0.641859D+00  0.193766D+00
      3   0.562019D+01 -0.122679D+01 -0.670648D+00  0.222804D+01  0.350611D+01
      4   0.119461D+02 -0.145563D+02 -0.841636D+01  0.334601D+00 -0.237384D+01
      5  -0.324123D+02 -0.827959D+01  0.548596D+01  0.111022D+01  0.236401D+01
      6  -0.609201D+01 -0.791076D+01  0.939997D+00 -0.482962D+00 -0.264217D+01
                21            22            23            24            25 
      1   0.110129D+02 -0.156024D+01 -0.486847D+01  0.498071D+01  0.715450D+01
      2   0.630578D+00  0.132947D+00  0.193432D+01 -0.974848D+00 -0.323001D+01
      3  -0.116435D+02  0.142729D+01  0.293415D+01 -0.400587D+01 -0.392449D+01
      4   0.156713D+01  0.257161D+01 -0.472414D+01  0.389733D+01 -0.278564D+01
      5  -0.621042D+01 -0.765892D+00  0.378405D+01 -0.585156D+01  0.431519D+01
      6   0.500816D+01  0.870280D-01 -0.423457D+01  0.755344D+01  0.548582D+00
                26            27            28            29            30 
      1   0.652769D+01 -0.217734D+02  0.291481D+01  0.320138D+01  0.241591D+01
      2   0.589753D+00 -0.744679D+01  0.766610D+00 -0.301142D+00 -0.289117D+00
      3  -0.711744D+01  0.292202D+02 -0.368142D+01 -0.290024D+01 -0.212679D+01
      4   0.498602D+01 -0.692771D+01  0.882287D+01  0.102330D+02  0.341123D+01
      5  -0.817298D+01  0.248662D+02  0.382975D+01  0.343048D+01  0.711063D+01
      6   0.710250D+01 -0.131998D+02  0.411444D+01  0.189807D+01  0.153094D+01
                31            32            33            34            35 
      1   0.140366D+01 -0.987600D+01 -0.480326D+01  0.752634D+00 -0.527714D+01
      2   0.260971D+01  0.177883D+02  0.595504D+01  0.840264D+00  0.425365D+01
      3  -0.401337D+01 -0.791229D+01 -0.115178D+01 -0.159290D+01  0.102349D+01
      4   0.136303D+02  0.275561D+02  0.103201D+02  0.473725D+01  0.108524D+02
      5   0.381403D+01  0.998138D+01  0.101787D+02  0.882828D+01  0.864438D+01
      6   0.407872D+01  0.144397D+02  0.965937D+01  0.421486D+01  0.110985D+02
                36            37            38            39            40 
      1  -0.449702D+01 -0.597024D+02 -0.140093D+02  0.887159D+01 -0.129831D+02
      2   0.106990D+01  0.259126D+02  0.822211D+01 -0.473918D-01  0.711179D+01
      3   0.342713D+01  0.337898D+02  0.578717D+01 -0.882420D+01  0.587127D+01
      4   0.907890D+01 -0.186376D+02  0.837238D+01 -0.287096D+01  0.695447D+01
      5   0.889814D+01  0.129267D+02 -0.536651D+00  0.133897D+02 -0.274261D+01
      6   0.908704D+01  0.411236D+01 -0.701570D+01  0.346969D+01 -0.264916D+01
                41            42            43            44            45 
      1   0.187507D+02 -0.414073D+01 -0.490116D+01 -0.648717D+01  0.137969D+02
      2  -0.394880D+01  0.986204D+01  0.122313D+02  0.928813D+01 -0.136993D+02
      3  -0.148019D+02 -0.572131D+01 -0.733012D+01 -0.280096D+01 -0.976316D-01
      4   0.471100D+01  0.198613D+02 -0.821391D+01  0.154615D+02  0.800351D+01
      5   0.151630D+02  0.491312D+01  0.256903D+02  0.790784D+01 -0.110532D+02
      6   0.213897D+01 -0.135167D+02  0.701492D+01 -0.996226D+01 -0.263371D+01
                46            47            48            49            50 
      1  -0.155501D+02 -0.270382D+01 -0.296127D+01  0.250685D+01 -0.821671D+01
      2   0.168844D+01  0.188156D+01 -0.397514D+00 -0.431558D+01  0.134994D+02
      3   0.138616D+02  0.822264D+00  0.335878D+01  0.180873D+01 -0.528264D+01
      4   0.258576D+01  0.524791D+01 -0.144381D+01 -0.927817D+01 -0.104685D+01
      5  -0.691548D+01 -0.189026D+01  0.366767D+01 -0.429191D+01  0.115273D+01
      6  -0.470669D+01  0.928794D+00  0.364226D+00 -0.327674D+01  0.552064D+01
                51            52            53            54            55 
      1  -0.101722D+01 -0.704519D+01 -0.199825D+01 -0.829071D+01  0.890393D+02
      2   0.609381D+01 -0.415359D+00  0.445189D+01 -0.495697D+01 -0.451924D+02
      3  -0.507659D+01  0.746055D+01 -0.245364D+01  0.132477D+02 -0.438469D+02
      4   0.107088D+01 -0.503242D+01  0.208080D+01  0.138178D+01  0.216200D+02
      5   0.406716D+00  0.588288D+01  0.117345D+01 -0.951516D+00 -0.286008D+02
      6  -0.134615D+01  0.641377D+00  0.557223D+01 -0.307329D+01 -0.432747D+01
                56            57            58            59            60 
      1   0.919341D+01 -0.534959D+01  0.782845D+01  0.620874D+01  0.374696D+00
      2  -0.310505D+01  0.631652D+01 -0.209499D+01 -0.239352D+01 -0.330569D+00
      3  -0.608836D+01 -0.966928D+00 -0.573347D+01 -0.381521D+01 -0.441272D-01
      4   0.126207D+02 -0.211367D+01  0.148168D+02  0.524012D+01 -0.302263D+01
      5  -0.347205D+01  0.139257D+02 -0.303607D+01 -0.409407D+01  0.167590D+01
      6  -0.308678D+01  0.230664D+01 -0.272523D+01 -0.140524D+01  0.319861D+01
                61            62            63            64            65 
      1   0.694936D+01  0.148584D+01  0.520252D+01  0.413577D+01 -0.246608D+01
      2  -0.120302D+01 -0.616152D+00 -0.327061D+01 -0.233620D+01  0.118830D+01
      3  -0.574634D+01 -0.869687D+00 -0.193192D+01 -0.179957D+01  0.127778D+01
      4   0.235250D+01 -0.423015D+00  0.130431D+01 -0.163758D+01 -0.206873D+00
      5   0.788682D+01  0.555840D+00 -0.503050D+00 -0.193455D+01  0.184703D+01
      6   0.117231D+01  0.203584D+01  0.206399D-01  0.221608D+01  0.166107D+01
                66            67            68            69            70 
      1  -0.501197D+01 -0.587591D+01 -0.865986D+01 -0.541973D+01 -0.302334D+01
      2   0.215425D+00  0.432363D+01  0.153488D+01 -0.526351D+01  0.230391D+01
      3   0.479654D+01  0.155228D+01  0.712499D+01  0.106832D+02  0.719429D+00
      4   0.423728D+00  0.271396D+01 -0.183089D+02 -0.121438D+02  0.169535D+01
      5  -0.594308D+00  0.780325D+01 -0.101386D+02 -0.142814D+02  0.404541D+01
      6   0.787864D-01 -0.594389D+00  0.131595D+02  0.106733D+02 -0.860050D+00
                71            72            73            74            75 
      1  -0.431883D+01 -0.101514D+02 -0.217520D+00  0.860953D+01 -0.771064D+01
      2  -0.415039D+01 -0.541202D+01  0.714653D+00 -0.530077D+01  0.158014D+01
      3   0.846922D+01  0.155634D+02 -0.497133D+00 -0.330876D+01  0.613051D+01
      4  -0.100446D+02 -0.834866D+01  0.232061D+01 -0.203014D+01  0.118529D+01
      5  -0.707698D+01 -0.132539D+02 -0.315192D+00 -0.491501D+00 -0.222528D+01
      6   0.975119D+01  0.786429D+01 -0.369076D+01  0.556644D+01 -0.482314D+01
                76            77            78            79            80 
      1   0.815744D+01 -0.177295D+02  0.117266D+02 -0.343958D+01  0.981373D+01
      2  -0.462079D+01  0.139824D+02 -0.436207D+01  0.773629D+00 -0.272673D+01
      3  -0.353665D+01  0.374719D+01 -0.736457D+01  0.266595D+01 -0.708700D+01
      4   0.297391D+01  0.154560D+02 -0.108794D+02 -0.419443D+00 -0.826947D+01
      5  -0.436651D+01 -0.818832D+01  0.836428D+01  0.227638D+01  0.529385D+01
      6   0.958421D+00 -0.174509D+02  0.148451D+02 -0.146542D+01  0.129627D+02
                81            82            83            84            85 
      1  -0.146618D+02  0.572067D+00  0.148317D+02  0.388421D+01 -0.539176D+01
      2   0.896945D+00 -0.975931D+00 -0.108674D+02  0.168530D+00  0.148060D+02
      3   0.137648D+02  0.403864D+00 -0.396434D+01 -0.405274D+01 -0.941422D+01
      4   0.602274D+01  0.104533D+02 -0.124510D+02 -0.844010D+00  0.255172D+01
      5  -0.877620D+01  0.241872D+01 -0.140427D+01 -0.193103D+01  0.243156D+01
      6  -0.122249D+02  0.231448D+01 -0.137739D+01 -0.446672D+01  0.858988D+01
                86            87            88            89            90 
      1   0.165095D+01  0.449168D+01 -0.186191D+01  0.551959D+01 -0.137022D+02
      2  -0.515773D+01 -0.289833D+01  0.742691D+01 -0.752211D+01  0.279896D+01
      3   0.350678D+01 -0.159335D+01 -0.556501D+01  0.200252D+01  0.109032D+02
      4   0.137697D+02  0.303095D+01  0.311291D+01  0.124520D+01  0.294545D+01
      5   0.309266D+01 -0.123265D+01  0.262714D+01  0.163472D+01 -0.121941D+01
      6  -0.523427D+01  0.499115D+01 -0.387196D+01  0.115679D+02 -0.402986D+00
                91            92            93            94            95 
      1   0.828930D+01 -0.195897D+02 -0.228038D+01  0.219459D+02  0.118329D+02
      2  -0.919527D+01  0.126601D+02  0.353665D+00 -0.186080D+02 -0.155501D+02
      3   0.905973D+00  0.692955D+01  0.192671D+01 -0.333791D+01  0.371720D+01
      4  -0.137733D+02 -0.597354D+01 -0.346570D+01  0.951414D+01 -0.541942D+01
      5  -0.473098D+01 -0.229305D+01 -0.816193D+00  0.150909D+00 -0.636240D+01
      6  -0.464051D+01 -0.167634D+01  0.349115D+01 -0.465368D+01 -0.101589D+02
                96            97            98            99           100 
      1   0.378524D+01  0.443982D+01  0.749546D+00 -0.549280D+01 -0.138869D+02
      2  -0.590443D+01 -0.740127D+01 -0.860653D+01 -0.445928D+01  0.101523D+02
      3   0.211919D+01  0.296145D+01  0.785699D+01  0.995207D+01  0.373456D+01
      4  -0.602111D+01 -0.348913D+01 -0.989923D+01  0.137655D+02 -0.297862D+01
      5   0.715656D+01  0.117877D+02  0.143207D+02  0.851458D+01 -0.419776D+01
      6   0.357987D+01  0.609470D+01  0.137061D+02  0.339000D+01  0.142546D+01
               101           102           103           104           105 
      1  -0.399631D+01 -0.499681D+01  0.899865D+01 -0.202576D+02 -0.708398D+01
      2   0.320772D+01  0.240372D+01 -0.717641D+01  0.171736D+02  0.818404D+01
      3   0.788591D+00  0.259309D+01 -0.182224D+01  0.308406D+01 -0.110005D+01
      4   0.220749D+02  0.118954D+01 -0.169822D+02 -0.316092D+01 -0.307012D+01
      5   0.900888D+00  0.137714D+02 -0.112523D+02 -0.126948D+01  0.758343D+00
      6   0.770339D+00  0.174179D+01 -0.265316D+01  0.302897D+01 -0.135590D+01
               106           107           108           109           110 
      1  -0.423232D+01 -0.844692D+01  0.145687D+02 -0.123420D+01  0.221208D+02
      2  -0.173988D+00  0.612022D+01 -0.164131D+02 -0.360694D+01 -0.138098D+02
      3   0.440631D+01  0.232671D+01  0.184445D+01  0.484114D+01 -0.831105D+01
      4  -0.121503D+02 -0.127424D+01  0.249940D+01  0.153490D+02  0.139279D+01
      5   0.348063D+02  0.331031D+01  0.476693D+01  0.190711D+00  0.200131D+00
      6   0.174777D+01  0.443375D+01 -0.356993D+01 -0.190322D+00 -0.159354D+01
               111           112           113           114           115 
      1   0.443055D+01 -0.270385D+02  0.362291D+01 -0.138877D+00 -0.770431D+01
      2  -0.458553D+00  0.243591D+02 -0.749134D+01 -0.701253D+00  0.962203D+01
      3  -0.397199D+01  0.267936D+01  0.386843D+01  0.840130D+00 -0.191773D+01
      4   0.156461D+01 -0.528668D+00  0.114238D+02  0.845624D+01 -0.224178D+01
      5   0.542127D+01 -0.577640D+01  0.728182D+01 -0.786014D+01  0.184293D+02
      6  -0.571399D+01  0.652836D+01 -0.548088D+01  0.333336D+01 -0.723825D+01
               116           117           118           119           120 
      1   0.395925D+01  0.232140D+01  0.112776D+02 -0.901015D+01  0.441103D+00
      2  -0.715443D+01 -0.808621D+01 -0.652903D+01  0.709111D+01 -0.326683D+00
      3   0.319518D+01  0.576481D+01 -0.474853D+01  0.191904D+01 -0.114420D+00
      4   0.929207D+01 -0.149834D+02 -0.581432D+01 -0.179402D+02 -0.285532D+01
      5  -0.150773D+02 -0.744681D+01  0.965660D+00 -0.189779D+01 -0.430956D+01
      6   0.115628D+02 -0.917432D+00 -0.843673D+00 -0.152439D+01  0.369975D+01
               121           122           123           124           125 
      1   0.105528D+01  0.962188D+01  0.480240D+01  0.214765D+01  0.366394D+01
      2  -0.103304D+02 -0.130987D+02 -0.738532D+01 -0.465201D+01 -0.104174D+02
      3   0.927508D+01  0.347685D+01  0.258292D+01  0.250436D+01  0.675346D+01
      4   0.108475D+02 -0.135820D+02 -0.231905D+01 -0.102191D+01 -0.321489D+01
      5  -0.871812D+00 -0.270430D+01  0.154261D+00  0.387520D+01 -0.534049D+01
      6  -0.573997D+01 -0.103260D+02  0.271967D+01  0.163504D+01  0.133595D+02
               126           127           128           129           130 
      1  -0.150462D+02 -0.514384D+01  0.741435D+01  0.880477D+00  0.841600D+01
      2   0.103026D+01  0.690736D+01 -0.107272D+02 -0.102853D+01 -0.114126D+02
      3   0.140159D+02 -0.176352D+01  0.331281D+01  0.148055D+00  0.299663D+01
      4  -0.675533D+01 -0.885898D+01  0.880955D+01  0.110806D+01  0.811735D+01
      5  -0.380971D+01 -0.982093D+00  0.119056D+01  0.180411D+01  0.125619D+01
      6   0.427614D+01  0.902935D+00 -0.135320D+01 -0.230574D+01 -0.232134D+01
               131           132           133           134           135 
      1  -0.207996D+02 -0.335819D+01  0.152077D+01 -0.345707D+01 -0.766216D+00
      2   0.282217D+02  0.280430D+01 -0.198816D+01  0.407968D+01  0.143721D+01
      3  -0.742216D+01  0.553892D+00  0.467392D+00 -0.622609D+00 -0.670994D+00
      4  -0.925507D+01 -0.103106D+01  0.128592D+01 -0.120395D+01 -0.185594D+01
      5  -0.135085D+01 -0.124415D+01  0.935857D+00 -0.651711D+00 -0.885174D+00
      6   0.446830D+01  0.498036D+01 -0.835156D+00  0.221784D+01  0.140164D+01
               136           137           138           139           140 
      1   0.536719D+01  0.487621D+01  0.951009D+00 -0.119001D+01 -0.159124D+02
      2   0.337294D+01  0.507071D+01  0.346052D+00  0.116432D+02  0.376866D+02
      3  -0.874013D+01 -0.994692D+01 -0.129706D+01 -0.104532D+02 -0.217742D+02
      4   0.189313D+02  0.234501D+02  0.494197D+01  0.240800D+02  0.468899D+02
      5   0.432987D+01  0.493556D+01  0.463540D+01  0.514367D+01  0.919458D+01
      6   0.324903D+01  0.380724D+01  0.287971D+01  0.520143D+01  0.125438D+02
               141           142           143           144           145 
      1  -0.343756D+01  0.997284D-01 -0.298435D+01 -0.230137D+01  0.100198D+03
      2   0.535427D+01  0.190068D+01  0.679944D+01  0.293207D+01 -0.564862D+02
      3  -0.191671D+01 -0.200041D+01 -0.381509D+01 -0.630708D+00 -0.437121D+02
      4   0.933868D+01  0.568731D+01  0.106971D+02  0.400140D+01  0.132263D+02
      5   0.619346D+01  0.214617D+01  0.340837D+01  0.241398D+01  0.986482D+01
      6   0.884949D+01  0.239643D+01  0.557148D+01  0.342061D+01 -0.190418D+01
               146           147           148           149           150 
      1   0.887032D+01  0.631149D+01  0.711912D+01  0.993777D+01  0.168722D+01
      2  -0.439318D+01 -0.426769D+01 -0.305289D+01 -0.470671D+01 -0.135521D+01
      3  -0.447713D+01 -0.204381D+01 -0.406623D+01 -0.523106D+01 -0.332003D+00
      4   0.945894D+01  0.597695D+00  0.160233D+02  0.427600D+01  0.137778D+01
      5   0.621947D+00  0.104721D+02  0.326997D+01  0.152085D+01  0.138086D+01
      6   0.268826D+00  0.555235D+00  0.856941D+00 -0.150879D+00  0.157134D+01
               151           152           153           154           155 
      1   0.753758D+01  0.191944D+01  0.408850D+01  0.216012D+02 -0.139467D+02
      2  -0.430869D+01 -0.106252D+01 -0.276979D+01 -0.356974D+01 -0.109908D+01
      3  -0.322889D+01 -0.856921D+00 -0.131870D+01 -0.180315D+02  0.150458D+02
      4   0.372984D+01  0.144249D+01  0.882915D+00 -0.335563D+02  0.307516D+02
      5   0.445463D+01  0.579645D+00  0.163294D+01 -0.574099D+01  0.406827D+01
      6   0.258808D+00  0.760544D+00  0.308788D+00  0.212794D+01 -0.183871D+01
               156           157           158           159           160 
      1  -0.244525D+01 -0.866354D+01  0.317605D+01  0.729613D+00 -0.625934D+00
      2   0.844461D+00 -0.700327D+01  0.173413D+02  0.926688D+00 -0.122623D+01
      3   0.160079D+01  0.156668D+02 -0.205174D+02 -0.165630D+01  0.185217D+01
      4   0.397081D+01  0.338610D+02 -0.447612D+02 -0.677646D+01  0.545360D+01
      5   0.599215D+01  0.598374D+01 -0.703121D+01 -0.588764D+01  0.265054D+01
      6  -0.312312D+01 -0.380775D+01  0.520208D+01  0.582791D+01 -0.211122D+01
               161           162           163           164           165 
      1   0.668560D-01 -0.241759D+00 -0.533612D+01 -0.861904D+01 -0.255611D+01
      2   0.251467D+01  0.102953D+01  0.653594D+01  0.103616D+02  0.190014D+01
      3  -0.258152D+01 -0.787772D+00 -0.119981D+01 -0.174252D+01  0.655973D+00
      4  -0.692456D+01 -0.338786D+01  0.376604D+01  0.741872D+01  0.144896D+01
      5  -0.290075D+01 -0.163846D+01  0.966807D+00  0.124826D+01  0.155836D+01
      6   0.316946D+01  0.179694D+01  0.242844D+01  0.365146D+01  0.236429D+01
               166           167           168           169           170 
      1  -0.761673D+01 -0.327452D+02 -0.792057D+01 -0.213207D+01 -0.788106D+01
      2   0.933575D+01  0.430302D+02  0.750452D+01  0.245721D+01  0.914290D+01
      3  -0.171903D+01 -0.102850D+02  0.416051D+00 -0.325139D+00 -0.126184D+01
      4   0.512657D+01 -0.426069D+00 -0.496743D+00  0.145652D+01  0.300436D-01
      5   0.105054D+01 -0.568777D+00 -0.192205D+00  0.767495D+00  0.605560D+00
      6   0.294981D+01  0.126474D+02  0.860136D+01  0.113811D+01  0.505142D+01
               171 
      1  -0.333246D+01
      2   0.353316D+01
      3  -0.200698D+00
      4   0.138271D+01
      5   0.551078D+00
      6   0.351703D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:52:49 2021, MaxMem=  5368709120 cpu:            6215.6 elap:             778.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.14533 -10.24487 -10.19755 -10.19472 -10.19397
 Alpha  occ. eigenvalues --  -10.19379 -10.19300 -10.19108 -10.17898  -1.01798
 Alpha  occ. eigenvalues --   -0.85974  -0.77847  -0.74698  -0.72598  -0.63164
 Alpha  occ. eigenvalues --   -0.61051  -0.58228  -0.53663  -0.51100  -0.47593
 Alpha  occ. eigenvalues --   -0.45189  -0.44237  -0.42824  -0.42454  -0.39195
 Alpha  occ. eigenvalues --   -0.38503  -0.37207  -0.36636  -0.35178  -0.33243
 Alpha  occ. eigenvalues --   -0.29154  -0.26415  -0.25558
 Alpha virt. eigenvalues --   -0.02093  -0.01972   0.01202   0.03229   0.03954
 Alpha virt. eigenvalues --    0.04594   0.06359   0.06589   0.07371   0.09670
 Alpha virt. eigenvalues --    0.09905   0.11215   0.11412   0.12253   0.13596
 Alpha virt. eigenvalues --    0.14233   0.14353   0.14768   0.15583   0.15866
 Alpha virt. eigenvalues --    0.16886   0.17841   0.18592   0.19001   0.20020
 Alpha virt. eigenvalues --    0.21264   0.22153   0.22979   0.23765   0.24166
 Alpha virt. eigenvalues --    0.24784   0.25498   0.26141   0.27343   0.27825
 Alpha virt. eigenvalues --    0.28367   0.29093   0.29909   0.30329   0.31461
 Alpha virt. eigenvalues --    0.32052   0.32712   0.33291   0.33721   0.34022
 Alpha virt. eigenvalues --    0.34484   0.35264   0.35721   0.36494   0.37297
 Alpha virt. eigenvalues --    0.37567   0.38031   0.38855   0.39293   0.39872
 Alpha virt. eigenvalues --    0.40204   0.40455   0.41470   0.41591   0.41808
 Alpha virt. eigenvalues --    0.42402   0.42481   0.42914   0.43344   0.44051
 Alpha virt. eigenvalues --    0.44628   0.45194   0.45965   0.47174   0.48538
 Alpha virt. eigenvalues --    0.48820   0.49247   0.50147   0.50767   0.51873
 Alpha virt. eigenvalues --    0.52335   0.53173   0.54256   0.54849   0.55146
 Alpha virt. eigenvalues --    0.55771   0.57637   0.57937   0.58555   0.59488
 Alpha virt. eigenvalues --    0.59836   0.60999   0.62902   0.63023   0.63636
 Alpha virt. eigenvalues --    0.64280   0.65430   0.66049   0.67695   0.68019
 Alpha virt. eigenvalues --    0.69928   0.70702   0.72446   0.72642   0.73726
 Alpha virt. eigenvalues --    0.75039   0.76568   0.77322   0.78710   0.80563
 Alpha virt. eigenvalues --    0.82186   0.82428   0.83692   0.84849   0.87940
 Alpha virt. eigenvalues --    0.89804   0.92877   0.93784   0.95134   0.96423
 Alpha virt. eigenvalues --    0.97187   0.97648   0.97806   0.98656   1.00396
 Alpha virt. eigenvalues --    1.01744   1.03219   1.03519   1.04661   1.06485
 Alpha virt. eigenvalues --    1.08961   1.10256   1.12107   1.12522   1.14338
 Alpha virt. eigenvalues --    1.14699   1.16619   1.17375   1.19206   1.19697
 Alpha virt. eigenvalues --    1.22471   1.23247   1.24048   1.27283   1.27958
 Alpha virt. eigenvalues --    1.30659   1.33399   1.34103   1.35382   1.37108
 Alpha virt. eigenvalues --    1.39133   1.40547   1.48010   1.49274   1.49557
 Alpha virt. eigenvalues --    1.56023   1.57646   1.58602   1.58759   1.61143
 Alpha virt. eigenvalues --    1.62112   1.64476   1.65646   1.69374   1.71688
 Alpha virt. eigenvalues --    1.72244   1.74729   1.76628   1.77186   1.81204
 Alpha virt. eigenvalues --    1.82633   1.84685   1.86260   1.87237   1.88481
 Alpha virt. eigenvalues --    1.89752   1.91544   1.92640   1.96197   1.98266
 Alpha virt. eigenvalues --    1.99793   2.01013   2.01954   2.03449   2.04774
 Alpha virt. eigenvalues --    2.05403   2.06728   2.09395   2.09952   2.14425
 Alpha virt. eigenvalues --    2.16921   2.18102   2.20400   2.24257   2.25773
 Alpha virt. eigenvalues --    2.27043   2.31600   2.32345   2.34977   2.36046
 Alpha virt. eigenvalues --    2.38442   2.40380   2.41028   2.42048   2.45675
 Alpha virt. eigenvalues --    2.46263   2.48172   2.51670   2.53496   2.55962
 Alpha virt. eigenvalues --    2.58176   2.65367   2.66245   2.69657   2.76857
 Alpha virt. eigenvalues --    2.83326   2.83969   2.86114   2.86780   2.92459
 Alpha virt. eigenvalues --    2.97269   3.01357   3.02563   3.06474   3.07689
 Alpha virt. eigenvalues --    3.09892   3.12044   3.13433   3.20246   3.21330
 Alpha virt. eigenvalues --    3.23323   3.34630   3.55588   3.70467   3.95323
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.402283  -0.145594   0.089912  -0.017946  -0.039159  -0.091033
     2  C   -0.145594   6.194265   0.214422   0.095014   0.441283   0.285305
     3  H    0.089912   0.214422   0.706659  -0.032737   0.018531   0.002625
     4  H   -0.017946   0.095014  -0.032737   1.255700  -0.044642  -0.164334
     5  C   -0.039159   0.441283   0.018531  -0.044642   4.102710   0.026502
     6  C   -0.091033   0.285305   0.002625  -0.164334   0.026502   9.779614
     7  H   -0.010429   0.071874   0.006053  -0.009359   0.259569   0.010788
     8  H   -0.022724   0.172791   0.001001   0.014833   0.268337  -0.079567
     9  H    0.044509   0.023350  -0.005821   0.000833   0.181701  -0.051704
    10  C   -0.012439  -0.609754  -0.076186   0.080821  -0.036941  -0.828368
    11  C    0.023747   0.036065   0.005015   0.002574   0.001634   0.485536
    12  C   -0.002189   0.072888  -0.000097   0.001198   0.003617  -0.234236
    13  C    0.000505   0.011952  -0.001636   0.013553   0.002884   0.416348
    14  C    0.057892  -0.625170  -0.026592  -0.065198  -0.004450  -0.723507
    15  H    0.017457  -0.380382  -0.038973   0.009985  -0.000521  -1.209072
    16  H   -0.003586   0.018948   0.000796  -0.000083   0.000483   0.065258
    17  H    0.000427  -0.008785  -0.000081  -0.000016  -0.000259   0.178585
    18  H   -0.002057   0.021958   0.000326  -0.002245   0.000521  -0.025387
    19  H    0.028815  -0.361959  -0.009384   0.026190  -0.008245  -0.950718
               7          8          9         10         11         12
     1  O   -0.010429  -0.022724   0.044509  -0.012439   0.023747  -0.002189
     2  C    0.071874   0.172791   0.023350  -0.609754   0.036065   0.072888
     3  H    0.006053   0.001001  -0.005821  -0.076186   0.005015  -0.000097
     4  H   -0.009359   0.014833   0.000833   0.080821   0.002574   0.001198
     5  C    0.259569   0.268337   0.181701  -0.036941   0.001634   0.003617
     6  C    0.010788  -0.079567  -0.051704  -0.828368   0.485536  -0.234236
     7  H    0.684982  -0.013600  -0.014261   0.005030  -0.000728  -0.000173
     8  H   -0.013600   0.759849  -0.007935  -0.006915   0.001397   0.000657
     9  H   -0.014261  -0.007935   0.874898   0.014118  -0.001913  -0.000940
    10  C    0.005030  -0.006915   0.014118   8.219519  -0.795005   0.605669
    11  C   -0.000728   0.001397  -0.001913  -0.795005   7.044347  -0.275856
    12  C   -0.000173   0.000657  -0.000940   0.605669  -0.275856   6.699888
    13  C   -0.000386   0.000471  -0.004811  -0.130000   0.696652  -0.048383
    14  C    0.000756  -0.009797   0.031551  -0.045386  -0.126476   0.556723
    15  H    0.002209   0.001619   0.000660   0.333483  -0.582940  -0.055585
    16  H   -0.000033  -0.000691   0.000148  -0.476890   0.148975  -0.662828
    17  H    0.000004  -0.000034   0.000072  -0.032076  -0.529379   0.197593
    18  H    0.000003   0.000208  -0.001216   0.168532  -0.044903  -0.601648
    19  H   -0.000295  -0.003266   0.022516   0.076417   0.185982  -0.113083
              13         14         15         16         17         18
     1  O    0.000505   0.057892   0.017457  -0.003586   0.000427  -0.002057
     2  C    0.011952  -0.625170  -0.380382   0.018948  -0.008785   0.021958
     3  H   -0.001636  -0.026592  -0.038973   0.000796  -0.000081   0.000326
     4  H    0.013553  -0.065198   0.009985  -0.000083  -0.000016  -0.002245
     5  C    0.002884  -0.004450  -0.000521   0.000483  -0.000259   0.000521
     6  C    0.416348  -0.723507  -1.209072   0.065258   0.178585  -0.025387
     7  H   -0.000386   0.000756   0.002209  -0.000033   0.000004   0.000003
     8  H    0.000471  -0.009797   0.001619  -0.000691  -0.000034   0.000208
     9  H   -0.004811   0.031551   0.000660   0.000148   0.000072  -0.001216
    10  C   -0.130000  -0.045386   0.333483  -0.476890  -0.032076   0.168532
    11  C    0.696652  -0.126476  -0.582940   0.148975  -0.529379  -0.044903
    12  C   -0.048383   0.556723  -0.055585  -0.662828   0.197593  -0.601648
    13  C    6.680418  -0.482812   0.222290  -0.106266  -0.456487   0.048389
    14  C   -0.482812   8.089191   0.037722   0.184132  -0.050057  -0.517966
    15  H    0.222290   0.037722   2.765289  -0.652051   0.068878  -0.023480
    16  H   -0.106266   0.184132  -0.652051   2.752720  -0.639160   0.076550
    17  H   -0.456487  -0.050057   0.068878  -0.639160   2.561495  -0.647420
    18  H    0.048389  -0.517966  -0.023480   0.076550  -0.647420   2.911529
    19  H   -0.551813   0.271739   0.058972  -0.022676   0.071129  -0.694451
              19
     1  O    0.028815
     2  C   -0.361959
     3  H   -0.009384
     4  H    0.026190
     5  C   -0.008245
     6  C   -0.950718
     7  H   -0.000295
     8  H   -0.003266
     9  H    0.022516
    10  C    0.076417
    11  C    0.185982
    12  C   -0.113083
    13  C   -0.551813
    14  C    0.271739
    15  H    0.058972
    16  H   -0.022676
    17  H    0.071129
    18  H   -0.694451
    19  H    2.493001
 Mulliken charges:
               1
     1  O   -0.318391
     2  C    0.471529
     3  H    0.146167
     4  H   -0.164143
     5  C    0.826446
     6  C   -0.892637
     7  H    0.007995
     8  H   -0.076632
     9  H   -0.105752
    10  C   -0.453629
    11  C   -0.274725
    12  C   -0.143215
    13  C   -0.310868
    14  C   -0.552294
    15  H    0.424438
    16  H    0.316253
    17  H    0.285572
    18  H    0.332759
    19  H    0.481129
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.172225
     2  C    0.307387
     5  C    0.652056
     6  C   -0.892637
    10  C   -0.029190
    11  C    0.041527
    12  C    0.142356
    13  C    0.021890
    14  C   -0.071165
 Electronic spatial extent (au):  <R**2>=           1268.4713
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.1754    Y=             -0.7791    Z=             -0.3628  Tot=              1.4561
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -56.7461   YY=            -51.8469   ZZ=            -54.6296
   XY=              2.6637   XZ=             -0.1026   YZ=              0.7542
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -2.3386   YY=              2.5606   ZZ=             -0.2220
   XY=              2.6637   XZ=             -0.1026   YZ=              0.7542
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             18.6761  YYY=              2.3469  ZZZ=            -11.2419  XYY=              1.8058
  XXY=             -7.3267  XXZ=              4.4911  XZZ=            -12.3778  YZZ=              4.0785
  YYZ=             -1.9008  XYZ=              1.9143
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1181.6402 YYYY=           -339.6948 ZZZZ=           -178.6736 XXXY=             16.8069
 XXXZ=             -5.2773 YYYX=             -4.1420 YYYZ=              4.6299 ZZZX=             21.1470
 ZZZY=            -12.0348 XXYY=           -251.9812 XXZZ=           -237.4618 YYZZ=            -89.8353
 XXYZ=              6.9075 YYXZ=              4.9892 ZZXY=             -6.9776
 N-N= 4.256175507275D+02 E-N=-1.746263988366D+03  KE= 3.816081927607D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:52:50 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.30597404D-01-2.82856063D-01-1.67595774D-01
 Polarizability= 1.19740572D+02 9.78013254D-01 9.74025097D+01
                 3.90203320D-01 5.10432669D+00 6.74324891D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3655   -0.3658        0.3875    0.3858
 2      0.3655    0.3658       -2.5778   -2.5778      -12.6390  -12.6399
 3     -0.3875   -0.3858       28.0249   28.0240        2.5764    2.5778
 4      2.5778    2.5778       -0.0000    0.0000       -0.3865   -0.3858
 5    -15.3859  -15.3840        0.3865    0.3858       -0.3619   -0.3658
 6     -2.5764   -2.5778        0.3619    0.3658       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.0973    1.0973        1.1575    1.1575
 2      7.7335    7.7335       -0.0000    0.0000        1.1575    1.1575
 3      7.7335    7.7335        1.0973    1.0973       -0.0000    0.0000
 4      1.0973    1.0973       -7.7335   -7.7335      -37.9198  -37.9198
 5     -1.1575   -1.1575       84.0720   84.0720        7.7335    7.7335
 6    -46.1521  -46.1521        1.1575    1.1575       -1.0973   -1.0973
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0464    0.0000        1.4164    1.4630       -1.5057   -1.5434
 2     -1.4316   -1.4630       10.3118   10.3113       50.5265   50.5598
 3      1.4694    1.5434     -112.1033 -112.0960      -10.3422  -10.3113
 4    -10.2956  -10.3113       -0.0070    0.0000        1.5288    1.5434
 5     61.4481   61.5362       -1.5155   -1.5434        1.5370    1.4630
 6     10.3392   10.3113       -1.7051   -1.4630        0.0124    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0214    0.0000       -4.0280   -3.9919       -8.4807   -8.4423
 2      3.9086    3.9919      -49.5969  -49.6015      -29.5530  -29.5095
 3      8.4935    8.4423      -24.3321  -24.0159       49.5429   49.6015
 4     49.5198   49.6015        0.0225    0.0000        8.4889    8.4423
 5     53.6031   53.5254       -8.7735   -8.4423       -3.9087   -3.9919
 6    -49.5651  -49.6015        4.0103    3.9919        0.0342    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     33.5158   33.6380        7.6022    7.5671       22.8674   22.8480
 2    105.7724  105.9845        3.8875    3.8313       22.9782   22.8480
 3    105.7576  105.9845        7.5926    7.5671       21.7930   21.6751
 4      3.7003    3.7358      -72.3163  -72.3465      -33.2759  -33.2708
 5     -1.2368   -1.1729      -40.8464  -40.6823       72.2603   72.3465
 6     74.0862   73.9531        0.6834    1.1729       -3.4780   -3.7358
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.8089   -0.4215   -0.0005   -0.0002    0.0002    1.4241
 Low frequencies ---   43.0112  128.5765  208.3018
 Diagonal vibrational polarizability:
       26.4278951       9.1330609      23.0022617
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     43.0060               128.5765               208.3017
 Red. masses --      3.4412                 3.4053                 2.2256
 Frc consts  --      0.0037                 0.0332                 0.0569
 IR Inten    --      0.8160                 0.1614                 0.2897
 RamAct Fr= 1--      4.1985                 4.7612                 0.2289
  Dep-P Fr= 1--      0.7480                 0.7460                 0.3421
  Dep-U Fr= 1--      0.8558                 0.8545                 0.5098
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0021
 Beta2  Fr= 1--      0.5988                 0.6781                 0.0194
 AlphaG Fr= 1--      0.0009                 0.0009                -0.0018
 Gamma2 Fr= 1--     -0.2541                -0.4347                -0.1368
 Delta2 Fr= 1--     -0.5523                -0.1641                -0.0532
 Raman1 Fr= 1--      16.794                 19.045                  0.916
 ROA1   Fr= 1--     -42.067                -46.986                -14.838
 CID1   Fr= 1--      -2.505                 -2.467                -16.205
 Raman2 Fr= 1--       7.186                  8.137                  0.233
 ROA2   Fr= 1--      -1.680                 -9.121                 -2.858
 CID2   Fr= 1--      -0.234                 -1.121                -12.246
 Raman3 Fr= 1--      14.372                 16.274                  0.467
 ROA3   Fr= 1--     -42.067                -46.986                -14.838
 CID3   Fr= 1--      -2.927                 -2.887                -31.787
 RC180  Fr= 1--       0.712                  0.709                  0.020
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.14  -0.15    -0.14  -0.05   0.01     0.11   0.09   0.04
     2   6    -0.00  -0.04   0.07    -0.00   0.01  -0.04    -0.01  -0.03  -0.01
     3   1     0.10  -0.27  -0.14    -0.31  -0.10  -0.09     0.17   0.12   0.08
     4   1    -0.00  -0.13   0.23    -0.05  -0.03   0.04    -0.16   0.01  -0.02
     5   6    -0.04   0.23   0.07     0.23   0.07   0.08     0.05   0.07   0.03
     6   6    -0.00  -0.03   0.05    -0.00   0.04  -0.18    -0.01  -0.12  -0.05
     7   1    -0.04   0.23   0.07     0.22  -0.01   0.29    -0.02   0.54   0.10
     8   1    -0.04   0.33  -0.09     0.28   0.12  -0.02     0.48  -0.08   0.13
     9   1    -0.07   0.32   0.23     0.38   0.13   0.07    -0.26  -0.17  -0.11
    10   6    -0.02  -0.05   0.17    -0.00   0.02  -0.11    -0.09  -0.09  -0.05
    11   6    -0.02  -0.03   0.13    -0.01  -0.03   0.08    -0.12   0.01  -0.01
    12   6     0.00   0.01  -0.03    -0.03  -0.05   0.20    -0.05   0.06   0.02
    13   6     0.02   0.04  -0.16    -0.02  -0.02   0.05     0.04   0.03   0.01
    14   6     0.02   0.01  -0.12    -0.01   0.03  -0.14     0.05  -0.08  -0.03
    15   1    -0.04  -0.08   0.29     0.00   0.03  -0.15    -0.16  -0.14  -0.07
    16   1    -0.04  -0.04   0.23    -0.01  -0.05   0.18    -0.19   0.04  -0.00
    17   1     0.00   0.03  -0.07    -0.04  -0.10   0.39    -0.06   0.13   0.06
    18   1     0.04   0.07  -0.29    -0.03  -0.04   0.11     0.10   0.07   0.04
    19   1     0.03   0.03  -0.21    -0.01   0.04  -0.21     0.12  -0.11  -0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    252.9601               306.7412               330.7528
 Red. masses --      1.3608                 3.1480                 1.2919
 Frc consts  --      0.0513                 0.1745                 0.0833
 IR Inten    --      4.6172                 2.1068                95.9145
 RamAct Fr= 1--      0.1559                 1.8608                 0.7416
  Dep-P Fr= 1--      0.2967                 0.2535                 0.5418
  Dep-U Fr= 1--      0.4576                 0.4045                 0.7028
 Alpha2 Fr= 1--      0.0016                 0.0218                 0.0030
 Beta2  Fr= 1--      0.0119                 0.1254                 0.0869
 AlphaG Fr= 1--      0.0033                -0.0097                 0.0014
 Gamma2 Fr= 1--     -0.0160                -1.0627                -0.6300
 Delta2 Fr= 1--      0.0192                -0.2771                -0.5677
 Raman1 Fr= 1--       0.623                  7.443                  2.966
 ROA1   Fr= 1--      -0.921               -110.882                -78.647
 CID1   Fr= 1--      -1.477                -14.897                -26.514
 Raman2 Fr= 1--       0.143                  1.505                  1.042
 ROA2   Fr= 1--      -0.538                -23.287                -10.578
 CID2   Fr= 1--      -3.769                -15.471                -10.148
 Raman3 Fr= 1--       0.285                  3.011                  2.085
 ROA3   Fr= 1--      -0.921               -110.882                -78.647
 CID3   Fr= 1--      -3.228                -36.832                -37.727
 RC180  Fr= 1--      -0.085                 -0.191                  0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07  -0.08  -0.04     0.04   0.01  -0.13     0.04  -0.05  -0.03
     2   6     0.00   0.00   0.01     0.02   0.03  -0.09     0.01  -0.02   0.04
     3   1     0.03   0.02   0.03     0.22   0.12  -0.02     0.69   0.51   0.41
     4   1     0.06  -0.03   0.04     0.04   0.03  -0.09     0.04  -0.04   0.06
     5   6    -0.01  -0.02   0.00     0.25  -0.05  -0.00    -0.01  -0.02   0.04
     6   6     0.00   0.06   0.01    -0.03   0.04   0.03    -0.01   0.02   0.00
     7   1    -0.07   0.51  -0.02     0.23  -0.13   0.26     0.01  -0.11   0.02
     8   1     0.43  -0.27   0.25     0.34  -0.07   0.01    -0.09   0.01   0.02
     9   1    -0.40  -0.37  -0.23     0.45  -0.04  -0.15     0.05   0.03   0.07
    10   6     0.04   0.05   0.02    -0.06   0.01   0.15    -0.01   0.03  -0.05
    11   6     0.05   0.00   0.00    -0.05   0.00   0.04    -0.00   0.01  -0.03
    12   6     0.02  -0.02  -0.00    -0.08   0.01  -0.14    -0.03  -0.02   0.05
    13   6    -0.02  -0.00   0.00    -0.10  -0.03   0.03    -0.04  -0.00  -0.01
    14   6    -0.02   0.04   0.01    -0.09  -0.02   0.14    -0.03   0.02  -0.06
    15   1     0.07   0.07   0.03    -0.06  -0.00   0.23     0.01   0.04  -0.04
    16   1     0.08  -0.01  -0.00    -0.01  -0.02   0.04     0.01   0.01  -0.04
    17   1     0.03  -0.05  -0.00    -0.06   0.02  -0.33    -0.03  -0.05   0.12
    18   1    -0.05  -0.03  -0.00    -0.10  -0.03   0.04    -0.04  -0.01  -0.01
    19   1    -0.05   0.06   0.00    -0.15  -0.01   0.21    -0.05   0.04  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    365.9565               415.0659               486.0605
 Red. masses --      2.5350                 2.9362                 3.5055
 Frc consts  --      0.2000                 0.2980                 0.4879
 IR Inten    --     38.2350                 0.5618                 5.9583
 RamAct Fr= 1--      2.1550                 0.0318                 2.6326
  Dep-P Fr= 1--      0.3930                 0.6369                 0.1182
  Dep-U Fr= 1--      0.5642                 0.7782                 0.2115
 Alpha2 Fr= 1--      0.0164                 0.0001                 0.0441
 Beta2  Fr= 1--      0.2026                 0.0041                 0.0928
 AlphaG Fr= 1--     -0.0076                -0.0022                 0.0024
 Gamma2 Fr= 1--      0.4561                -0.2532                 0.1267
 Delta2 Fr= 1--      0.0234                -0.0223                -0.0026
 Raman1 Fr= 1--       8.620                  0.127                 10.530
 ROA1   Fr= 1--      44.534                -25.015                 12.084
 CID1   Fr= 1--       5.166               -196.734                  1.148
 Raman2 Fr= 1--       2.432                  0.049                  1.113
 ROA2   Fr= 1--      10.759                 -5.898                  3.062
 CID2   Fr= 1--       4.425               -119.204                  2.750
 Raman3 Fr= 1--       4.864                  0.099                  2.227
 ROA3   Fr= 1--      44.534                -25.015                 12.084
 CID3   Fr= 1--       9.157               -252.805                  5.426
 RC180  Fr= 1--       0.128                  0.556                 -0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.22   0.01  -0.03    -0.01  -0.01  -0.01     0.06  -0.11   0.21
     2   6     0.04   0.00   0.08    -0.01   0.00  -0.00     0.19  -0.12  -0.05
     3   1    -0.20  -0.66  -0.37     0.09   0.09   0.06    -0.17   0.05   0.12
     4   1     0.05  -0.01   0.10    -0.01   0.00   0.00     0.26  -0.11  -0.10
     5   6     0.00  -0.09   0.07    -0.00  -0.00   0.00     0.04   0.09  -0.16
     6   6    -0.01   0.05   0.06    -0.00   0.00  -0.01     0.07   0.07  -0.03
     7   1     0.00  -0.10   0.04    -0.00  -0.00   0.01     0.04   0.30  -0.40
     8   1    -0.01  -0.18   0.20     0.01  -0.00   0.00     0.06   0.23  -0.39
     9   1     0.01  -0.16  -0.04    -0.00  -0.00  -0.00    -0.25   0.16   0.16
    10   6    -0.02   0.08  -0.06     0.02   0.04  -0.21    -0.04   0.10   0.02
    11   6    -0.03   0.03  -0.02    -0.01  -0.05   0.20    -0.04   0.03   0.03
    12   6    -0.08  -0.04   0.07     0.01   0.00  -0.00    -0.12  -0.03  -0.05
    13   6    -0.08  -0.00  -0.06     0.02   0.04  -0.20    -0.08  -0.06   0.00
    14   6    -0.07   0.04  -0.05    -0.01  -0.04   0.21    -0.06   0.00   0.01
    15   1    -0.02   0.10  -0.17     0.03   0.09  -0.42    -0.07   0.07   0.04
    16   1     0.03   0.01  -0.05    -0.03  -0.10   0.45     0.05  -0.02   0.07
    17   1    -0.08  -0.09   0.16     0.01   0.00  -0.01    -0.12  -0.04  -0.09
    18   1    -0.09   0.00  -0.11     0.03   0.09  -0.43    -0.07  -0.05   0.03
    19   1    -0.13   0.08  -0.11    -0.02  -0.10   0.45    -0.18   0.04   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    551.7200               620.3149               637.8217
 Red. masses --      2.9885                 3.9987                 6.3591
 Frc consts  --      0.5360                 0.9066                 1.5242
 IR Inten    --     17.7591                 8.2829                 0.3923
 RamAct Fr= 1--      0.4718                 1.1054                 4.5464
  Dep-P Fr= 1--      0.3674                 0.6786                 0.7366
  Dep-U Fr= 1--      0.5374                 0.8086                 0.8483
 Alpha2 Fr= 1--      0.0039                 0.0014                 0.0010
 Beta2  Fr= 1--      0.0423                 0.1490                 0.6428
 AlphaG Fr= 1--      0.0025                -0.0025                -0.0038
 Gamma2 Fr= 1--      0.0880                 0.2669                 0.0147
 Delta2 Fr= 1--     -0.0074                -0.0244                -0.0122
 Raman1 Fr= 1--       1.887                  4.422                 18.186
 ROA1   Fr= 1--       8.207                 24.845                  1.017
 CID1   Fr= 1--       4.348                  5.619                  0.056
 Raman2 Fr= 1--       0.507                  1.788                  7.713
 ROA2   Fr= 1--       2.170                  6.601                  0.450
 CID2   Fr= 1--       4.279                  3.693                  0.058
 Raman3 Fr= 1--       1.014                  3.575                 15.427
 ROA3   Fr= 1--       8.207                 24.845                  1.017
 CID3   Fr= 1--       8.091                  6.950                  0.066
 RC180  Fr= 1--       0.075                  0.617                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07   0.01   0.00    -0.12   0.01  -0.08    -0.02   0.03  -0.03
     2   6     0.01  -0.00  -0.07     0.18   0.22   0.11     0.02   0.04   0.02
     3   1    -0.11   0.13   0.00    -0.06   0.10  -0.02     0.01   0.04  -0.01
     4   1     0.09   0.04  -0.15     0.19   0.17   0.20     0.04   0.03   0.03
     5   6     0.08   0.03  -0.09     0.00   0.01   0.02    -0.01   0.00   0.03
     6   6    -0.01  -0.06   0.27     0.19  -0.04   0.01     0.01   0.13   0.03
     7   1     0.06   0.07   0.05     0.05  -0.14  -0.33    -0.00  -0.03  -0.01
     8   1     0.20   0.07  -0.19    -0.31  -0.16   0.38    -0.05  -0.03   0.09
     9   1     0.13   0.07  -0.07    -0.06  -0.13  -0.15    -0.00  -0.02  -0.02
    10   6    -0.01  -0.01   0.05     0.01   0.01   0.00    -0.26   0.18   0.01
    11   6    -0.00   0.02  -0.13    -0.05   0.11   0.02    -0.23  -0.25  -0.06
    12   6    -0.02  -0.04   0.18    -0.19   0.01  -0.01    -0.00  -0.14  -0.04
    13   6     0.02   0.02  -0.14     0.02  -0.10  -0.03     0.29  -0.22  -0.02
    14   6     0.00  -0.02   0.06     0.04  -0.21  -0.04     0.22   0.20   0.05
    15   1    -0.00   0.04  -0.24    -0.19  -0.13  -0.02    -0.16   0.25   0.05
    16   1     0.02   0.09  -0.48     0.03   0.07   0.03    -0.06  -0.33  -0.04
    17   1    -0.03  -0.03   0.21    -0.19   0.02   0.00    -0.06   0.28   0.06
    18   1     0.04   0.10  -0.48     0.21   0.04   0.01     0.18  -0.31  -0.02
    19   1     0.02   0.05  -0.23    -0.05  -0.17  -0.03     0.05   0.27   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    715.5722               778.1706               781.6813
 Red. masses --      1.7378                 2.0553                 3.0939
 Frc consts  --      0.5243                 0.7333                 1.1138
 IR Inten    --     43.1149                22.6151                 5.7145
 RamAct Fr= 1--      0.0351                 2.8896                11.4954
  Dep-P Fr= 1--      0.0604                 0.1564                 0.0188
  Dep-U Fr= 1--      0.1139                 0.2706                 0.0369
 Alpha2 Fr= 1--      0.0007                 0.0439                 0.2445
 Beta2  Fr= 1--      0.0007                 0.1303                 0.0707
 AlphaG Fr= 1--     -0.0009                 0.0130                -0.0418
 Gamma2 Fr= 1--      0.0138                 0.3541                 0.3573
 Delta2 Fr= 1--      0.0086                -0.0781                 0.2879
 Raman1 Fr= 1--       0.140                 11.558                 45.982
 ROA1   Fr= 1--       1.596                 31.493                 43.512
 CID1   Fr= 1--      11.368                  2.725                  0.946
 Raman2 Fr= 1--       0.008                  1.564                  0.848
 ROA2   Fr= 1--       0.262                  9.122                  6.271
 CID2   Fr= 1--      32.709                  5.834                  7.394
 Raman3 Fr= 1--       0.016                  3.127                  1.696
 ROA3   Fr= 1--       1.596                 31.493                 43.512
 CID3   Fr= 1--      99.769                 10.070                 25.651
 RC180  Fr= 1--      -0.772                 -0.459                 -0.926
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00    -0.02   0.03  -0.01     0.01   0.04  -0.02
     2   6     0.00  -0.00   0.00    -0.07  -0.06  -0.04    -0.12  -0.13  -0.08
     3   1    -0.00  -0.02  -0.01    -0.02   0.01  -0.02     0.04  -0.02  -0.01
     4   1    -0.02  -0.00   0.02    -0.01   0.00  -0.14    -0.17  -0.06  -0.16
     5   6    -0.00   0.00  -0.00    -0.02  -0.02  -0.01    -0.08  -0.04   0.09
     6   6     0.00   0.02  -0.10     0.02  -0.03   0.18     0.07   0.04  -0.14
     7   1     0.00  -0.01  -0.03    -0.06   0.04   0.28    -0.13   0.06   0.37
     8   1    -0.03  -0.01   0.02     0.18   0.05  -0.17     0.13   0.06  -0.14
     9   1    -0.02  -0.01   0.00     0.08   0.06   0.04    -0.03   0.06   0.22
    10   6    -0.01  -0.02   0.07     0.02   0.08  -0.06     0.03   0.13   0.09
    11   6     0.01   0.03  -0.14     0.03   0.07   0.03     0.07   0.15   0.02
    12   6    -0.00  -0.01   0.07    -0.05   0.02  -0.12    -0.12  -0.04   0.08
    13   6     0.01   0.03  -0.14     0.03  -0.06  -0.01     0.07  -0.11  -0.03
    14   6    -0.01  -0.01   0.07     0.03  -0.03  -0.09     0.05  -0.09   0.04
    15   1    -0.03  -0.09   0.47    -0.01   0.04   0.01    -0.02   0.11   0.01
    16   1    -0.02  -0.05   0.20     0.09  -0.06   0.46     0.29   0.14  -0.31
    17   1    -0.03  -0.12   0.56    -0.09  -0.12   0.47    -0.08   0.02  -0.36
    18   1    -0.02  -0.05   0.22     0.07  -0.11   0.49     0.22   0.05  -0.32
    19   1    -0.04  -0.11   0.51    -0.02  -0.04   0.04    -0.03  -0.04  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    862.7160               917.7069               931.9910
 Red. masses --      1.2479                 2.1663                 1.4618
 Frc consts  --      0.5472                 1.0749                 0.7481
 IR Inten    --      0.1457                 9.8239                 6.9443
 RamAct Fr= 1--      1.1376                 3.6040                 1.2811
  Dep-P Fr= 1--      0.6961                 0.6510                 0.5957
  Dep-U Fr= 1--      0.8209                 0.7886                 0.7466
 Alpha2 Fr= 1--      0.0011                 0.0064                 0.0037
 Beta2  Fr= 1--      0.1556                 0.4737                 0.1594
 AlphaG Fr= 1--     -0.0008                -0.0118                -0.0014
 Gamma2 Fr= 1--     -0.0807                 0.0417                -1.5756
 Delta2 Fr= 1--     -0.0492                -0.3718                 0.1315
 Raman1 Fr= 1--       4.550                 14.416                  5.125
 ROA1   Fr= 1--      -9.316                 -7.893               -147.054
 CID1   Fr= 1--      -2.047                 -0.548                -28.696
 Raman2 Fr= 1--       1.868                  5.684                  1.913
 ROA2   Fr= 1--      -1.542                  3.976                -38.867
 CID2   Fr= 1--      -0.826                  0.699                -20.317
 Raman3 Fr= 1--       3.735                 11.368                  3.826
 ROA3   Fr= 1--      -9.316                 -7.893               -147.054
 CID3   Fr= 1--      -2.494                 -0.694                -38.434
 RC180  Fr= 1--       0.642                  0.577                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.06   0.11  -0.09     0.02  -0.04   0.03
     2   6    -0.01   0.00  -0.01     0.15  -0.08  -0.03    -0.03   0.02  -0.01
     3   1    -0.01  -0.01  -0.01    -0.06   0.11  -0.09     0.02  -0.00   0.03
     4   1    -0.01  -0.01   0.01     0.22   0.04  -0.22    -0.10  -0.03   0.08
     5   6    -0.00   0.00   0.00     0.00  -0.10   0.15    -0.00   0.03  -0.01
     6   6    -0.00   0.00  -0.00     0.04   0.01  -0.01    -0.01   0.01  -0.07
     7   1    -0.00  -0.00   0.01    -0.02   0.19  -0.09     0.01  -0.06  -0.03
     8   1    -0.00  -0.00   0.01    -0.02   0.13  -0.19    -0.06  -0.04   0.11
     9   1     0.01   0.00  -0.01    -0.35   0.05   0.64     0.05  -0.03  -0.14
    10   6     0.00   0.01  -0.06    -0.01  -0.04   0.02    -0.00  -0.00   0.08
    11   6     0.01   0.02  -0.08    -0.02  -0.05  -0.01     0.01   0.01   0.03
    12   6    -0.00   0.00  -0.01     0.02   0.01  -0.04     0.00   0.02  -0.09
    13   6    -0.00  -0.02   0.07    -0.05   0.05  -0.00     0.01  -0.01  -0.03
    14   6    -0.00  -0.02   0.08    -0.01   0.01   0.04    -0.00  -0.03   0.11
    15   1    -0.02  -0.08   0.44    -0.01  -0.01  -0.18     0.03   0.10  -0.42
    16   1    -0.03  -0.11   0.51    -0.08  -0.03   0.00     0.04   0.05  -0.17
    17   1    -0.01  -0.01   0.05     0.00  -0.06   0.22    -0.04  -0.12   0.56
    18   1     0.04   0.10  -0.47    -0.10   0.01   0.02     0.01  -0.03   0.12
    19   1     0.03   0.11  -0.50     0.00   0.07  -0.20     0.04   0.12  -0.56
                     19                     20                     21
                      A                      A                      A
 Frequencies --    969.0848               983.7900              1009.1588
 Red. masses --      1.3337                 1.2602                 2.2581
 Frc consts  --      0.7379                 0.7186                 1.3549
 IR Inten    --      0.0091                 1.1016                43.2370
 RamAct Fr= 1--      0.0214                 0.1129                14.9525
  Dep-P Fr= 1--      0.4790                 0.6691                 0.2611
  Dep-U Fr= 1--      0.6477                 0.8018                 0.4141
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.1718
 Beta2  Fr= 1--      0.0023                 0.0151                 1.0319
 AlphaG Fr= 1--      0.0034                -0.0003                -0.0946
 Gamma2 Fr= 1--      0.2081                 0.1702                 2.0308
 Delta2 Fr= 1--     -0.0465                -0.1043                 1.1885
 Raman1 Fr= 1--       0.086                  0.452                 59.810
 ROA1   Fr= 1--      18.493                 13.007                232.984
 CID1   Fr= 1--     215.871                 28.791                  3.895
 Raman2 Fr= 1--       0.028                  0.181                 12.383
 ROA2   Fr= 1--       5.368                  4.920                 39.230
 CID2   Fr= 1--     193.481                 27.166                  3.168
 Raman3 Fr= 1--       0.055                  0.362                 24.766
 ROA3   Fr= 1--      18.493                 13.007                232.984
 CID3   Fr= 1--     333.288                 35.910                  9.408
 RC180  Fr= 1--       0.295                  0.604                 -0.172
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.01   0.01     0.05  -0.10   0.04
     2   6     0.00   0.00  -0.00    -0.00   0.01  -0.01     0.06   0.11  -0.15
     3   1    -0.02   0.00  -0.01     0.00   0.02   0.01    -0.25   0.28  -0.05
     4   1     0.02   0.00  -0.01    -0.01  -0.00   0.00     0.33   0.11  -0.25
     5   6    -0.00  -0.00   0.00    -0.00   0.01   0.01    -0.15   0.01   0.08
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.06   0.03   0.00
     7   1    -0.01   0.01   0.02    -0.00  -0.01   0.00    -0.19  -0.05   0.63
     8   1     0.01   0.00  -0.01    -0.01  -0.01   0.03     0.15  -0.05   0.11
     9   1     0.00   0.01   0.01     0.00  -0.01  -0.02     0.20   0.06  -0.09
    10   6     0.01   0.01  -0.08    -0.00  -0.02   0.08     0.05  -0.08  -0.01
    11   6    -0.00  -0.01   0.04     0.01   0.02  -0.10    -0.03  -0.06  -0.01
    12   6    -0.00  -0.01   0.05    -0.00  -0.01   0.06    -0.06   0.01  -0.01
    13   6     0.01   0.03  -0.11     0.00   0.00  -0.03    -0.02   0.03   0.01
    14   6    -0.01  -0.02   0.08    -0.00   0.00   0.01     0.02   0.05   0.00
    15   1    -0.02  -0.08   0.40     0.02   0.10  -0.54     0.03  -0.10  -0.00
    16   1     0.01   0.04  -0.18    -0.04  -0.13   0.62    -0.09  -0.03  -0.05
    17   1     0.02   0.07  -0.33     0.03   0.08  -0.41    -0.07   0.05   0.04
    18   1    -0.04  -0.14   0.63    -0.02  -0.06   0.26    -0.02   0.04  -0.03
    19   1     0.03   0.10  -0.47     0.00   0.03  -0.11    -0.03   0.06   0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.1786              1053.5020              1070.5286
 Red. masses --      5.7173                 2.1794                 1.6888
 Frc consts  --      3.5472                 1.4252                 1.1403
 IR Inten    --      3.4614                 7.0778                17.2363
 RamAct Fr= 1--     42.5810                18.6656                 7.6060
  Dep-P Fr= 1--      0.0458                 0.0451                 0.1032
  Dep-U Fr= 1--      0.0875                 0.0863                 0.1871
 Alpha2 Fr= 1--      0.8496                 0.3730                 0.1321
 Beta2  Fr= 1--      0.6212                 0.2686                 0.2372
 AlphaG Fr= 1--      0.0586                 0.0212                -0.0066
 Gamma2 Fr= 1--     -0.8160                -0.3741                 0.4650
 Delta2 Fr= 1--     -0.2990                -0.1824                -0.6986
 Raman1 Fr= 1--     170.324                 74.662                 30.424
 ROA1   Fr= 1--     -87.903                -41.756                 22.280
 CID1   Fr= 1--      -0.516                 -0.559                  0.732
 Raman2 Fr= 1--       7.455                  3.223                  2.846
 ROA2   Fr= 1--     -17.192                 -7.520                 16.748
 CID2   Fr= 1--      -2.306                 -2.333                  5.885
 Raman3 Fr= 1--      14.910                  6.446                  5.692
 ROA3   Fr= 1--     -87.903                -41.756                 22.280
 CID3   Fr= 1--      -5.896                 -6.478                  3.914
 RC180  Fr= 1--      -0.825                 -0.827                 -0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.05   0.02     0.01  -0.01   0.00     0.02   0.01  -0.00
     2   6     0.05   0.05  -0.08     0.02   0.02  -0.02     0.03  -0.09  -0.14
     3   1    -0.13   0.14  -0.03    -0.04   0.05  -0.01    -0.28   0.35  -0.10
     4   1     0.10   0.06  -0.11     0.06   0.03  -0.04    -0.21  -0.19   0.11
     5   6    -0.06   0.01   0.05    -0.00  -0.01   0.02     0.02   0.08   0.09
     6   6     0.04   0.01   0.01    -0.02   0.00   0.00    -0.01  -0.06   0.04
     7   1    -0.07  -0.02   0.24    -0.00   0.02   0.00     0.09  -0.17  -0.25
     8   1     0.04  -0.03   0.08    -0.01   0.01   0.01    -0.32  -0.10   0.47
     9   1     0.07   0.02  -0.02    -0.03   0.00   0.05    -0.09  -0.13  -0.14
    10   6    -0.22   0.28   0.05    -0.03  -0.08  -0.02    -0.04   0.04  -0.01
    11   6    -0.03  -0.06  -0.02    -0.00   0.18   0.04     0.03   0.04   0.01
    12   6     0.36   0.05   0.03     0.13   0.02   0.01    -0.01  -0.05  -0.01
    13   6    -0.03   0.05   0.01     0.05  -0.18  -0.03    -0.03   0.02   0.00
    14   6    -0.14  -0.34  -0.09    -0.06   0.06   0.01     0.04   0.05  -0.00
    15   1    -0.20   0.30   0.06    -0.32  -0.30  -0.05    -0.13  -0.04   0.05
    16   1    -0.04  -0.04  -0.01    -0.36   0.34   0.03     0.15  -0.01   0.01
    17   1     0.37   0.06   0.04     0.15   0.02   0.02     0.02  -0.24  -0.07
    18   1    -0.02   0.05  -0.00    -0.24  -0.41  -0.11    -0.12  -0.04  -0.01
    19   1    -0.12  -0.36  -0.05    -0.39   0.19   0.03     0.17  -0.02   0.08
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1102.2961              1129.1320              1184.7885
 Red. masses --      1.7699                 1.9636                 1.1186
 Frc consts  --      1.2670                 1.4750                 0.9251
 IR Inten    --     31.8382                14.1938                 0.1026
 RamAct Fr= 1--      5.6460                 1.8160                 4.2615
  Dep-P Fr= 1--      0.1470                 0.7355                 0.7490
  Dep-U Fr= 1--      0.2563                 0.8476                 0.8565
 Alpha2 Fr= 1--      0.0880                 0.0004                 0.0001
 Beta2  Fr= 1--      0.2411                 0.2565                 0.6083
 AlphaG Fr= 1--      0.0565                -0.0097                 0.0000
 Gamma2 Fr= 1--      0.4395                -2.5800                 0.0063
 Delta2 Fr= 1--      0.1546                -0.6665                 0.0661
 Raman1 Fr= 1--      22.584                  7.264                 17.046
 ROA1   Fr= 1--      47.142               -269.011                  2.718
 CID1   Fr= 1--       2.087                -37.034                  0.159
 Raman2 Fr= 1--       2.894                  3.079                  7.300
 ROA2   Fr= 1--       9.312                -56.589                 -0.378
 CID2   Fr= 1--       3.218                -18.382                 -0.052
 Raman3 Fr= 1--       5.787                  6.157                 14.600
 ROA3   Fr= 1--      47.142               -269.011                  2.718
 CID3   Fr= 1--       8.146                -43.692                  0.186
 RC180  Fr= 1--      -0.487                  0.695                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.04   0.01     0.03  -0.09   0.03     0.00   0.00   0.00
     2   6    -0.04   0.04  -0.11    -0.07   0.19  -0.06    -0.00  -0.01  -0.00
     3   1    -0.07   0.06  -0.02     0.13  -0.19   0.07     0.00  -0.00  -0.00
     4   1    -0.12   0.03  -0.08    -0.07   0.30  -0.26    -0.00  -0.01   0.01
     5   6     0.06  -0.01   0.07     0.05  -0.07   0.04     0.00   0.00   0.00
     6   6    -0.08   0.02   0.04    -0.05  -0.02   0.01     0.00   0.00   0.00
     7   1     0.09   0.04  -0.32     0.04   0.19  -0.20     0.00  -0.01  -0.01
     8   1    -0.22   0.03   0.09    -0.08   0.11  -0.19    -0.01  -0.00   0.01
     9   1    -0.22  -0.06   0.20    -0.21   0.02   0.36    -0.00  -0.01  -0.01
    10   6     0.09  -0.01  -0.00    -0.07   0.01  -0.01    -0.00  -0.01  -0.00
    11   6    -0.02  -0.03  -0.01     0.04   0.04   0.01     0.04  -0.02  -0.00
    12   6    -0.03   0.06   0.01    -0.01  -0.04  -0.01    -0.01   0.07   0.01
    13   6     0.08  -0.05  -0.01    -0.01   0.02   0.00    -0.04  -0.03  -0.01
    14   6    -0.07  -0.04  -0.03     0.07   0.01   0.00     0.01  -0.01  -0.00
    15   1     0.43   0.24   0.11    -0.24  -0.11  -0.01    -0.14  -0.11  -0.03
    16   1    -0.13   0.01   0.00     0.24  -0.03   0.01     0.44  -0.19  -0.01
    17   1    -0.08   0.42   0.08     0.03  -0.30  -0.06    -0.09   0.67   0.13
    18   1     0.29   0.09   0.05    -0.08  -0.03  -0.01    -0.38  -0.28  -0.09
    19   1    -0.29   0.02   0.03     0.39  -0.12   0.02     0.14  -0.07  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1201.7799              1222.3006              1280.2328
 Red. masses --      1.1401                 2.3042                 1.2835
 Frc consts  --      0.9701                 2.0283                 1.2394
 IR Inten    --      0.3290                 1.9461                48.3717
 RamAct Fr= 1--      6.7073                25.8742                 2.6755
  Dep-P Fr= 1--      0.2808                 0.0780                 0.4875
  Dep-U Fr= 1--      0.4384                 0.1447                 0.6554
 Alpha2 Fr= 1--      0.0728                 0.4779                 0.0140
 Beta2  Fr= 1--      0.4901                 0.6241                 0.2923
 AlphaG Fr= 1--      0.0027                -0.0296                -0.0312
 Gamma2 Fr= 1--      0.2767                 1.0425                -1.0999
 Delta2 Fr= 1--      0.2017                 0.6881                 0.1721
 Raman1 Fr= 1--      26.829                103.497                 10.702
 ROA1   Fr= 1--      33.021                122.099               -100.080
 CID1   Fr= 1--       1.231                  1.180                 -9.351
 Raman2 Fr= 1--       5.881                  7.489                  3.507
 ROA2   Fr= 1--       5.028                 19.516                -27.773
 CID2   Fr= 1--       0.855                  2.606                 -7.919
 Raman3 Fr= 1--      11.763                 14.979                  7.015
 ROA3   Fr= 1--      33.021                122.099               -100.080
 CID3   Fr= 1--       2.807                  8.152                -14.267
 RC180  Fr= 1--      -0.123                 -0.711                  0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.02  -0.01   0.02     0.04  -0.03  -0.02
     2   6     0.02   0.00   0.01    -0.11  -0.01  -0.06    -0.02   0.06   0.04
     3   1    -0.03   0.02  -0.01     0.27  -0.33   0.11    -0.38   0.49  -0.14
     4   1     0.06  -0.01   0.02    -0.47   0.13  -0.17    -0.41  -0.12   0.46
     5   6    -0.01  -0.00  -0.00     0.03   0.02   0.01    -0.00  -0.08  -0.03
     6   6    -0.04  -0.00  -0.01     0.27  -0.00   0.03     0.05  -0.05  -0.01
     7   1    -0.01  -0.00   0.02     0.04  -0.02  -0.08    -0.04   0.15   0.02
     8   1     0.03   0.00  -0.02    -0.15   0.00   0.09     0.10   0.07  -0.29
     9   1     0.02   0.01  -0.01    -0.10  -0.04   0.02     0.02   0.05   0.15
    10   6     0.03   0.03   0.01     0.06   0.03   0.01     0.02   0.02   0.01
    11   6    -0.04   0.03   0.00    -0.08  -0.06  -0.02    -0.03   0.00  -0.00
    12   6    -0.01  -0.00  -0.00     0.02  -0.00   0.00     0.00  -0.02  -0.00
    13   6    -0.03  -0.04  -0.01    -0.08   0.05   0.01     0.00   0.02   0.01
    14   6     0.05  -0.02  -0.00     0.04   0.01   0.00    -0.00   0.02   0.00
    15   1     0.41   0.31   0.08    -0.03  -0.04  -0.00     0.02   0.03   0.00
    16   1    -0.40   0.18   0.01    -0.37   0.05  -0.01     0.03  -0.02  -0.00
    17   1    -0.01  -0.00  -0.00     0.01   0.04   0.01    -0.00   0.02   0.00
    18   1    -0.36  -0.28  -0.09    -0.35  -0.14  -0.05    -0.10  -0.05  -0.02
    19   1     0.50  -0.21  -0.01    -0.25   0.14   0.02    -0.11   0.06   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1319.4599              1354.7340              1386.6678
 Red. masses --      2.3563                 2.0370                 1.2725
 Frc consts  --      2.4170                 2.2026                 1.4416
 IR Inten    --     20.2050                 2.7168                 0.2915
 RamAct Fr= 1--      1.6672                 0.9669                 2.8573
  Dep-P Fr= 1--      0.2373                 0.5619                 0.6751
  Dep-U Fr= 1--      0.3836                 0.7195                 0.8061
 Alpha2 Fr= 1--      0.0205                 0.0034                 0.0038
 Beta2  Fr= 1--      0.1066                 0.1160                 0.3839
 AlphaG Fr= 1--      0.0362                -0.0066                -0.0099
 Gamma2 Fr= 1--     -0.5890                 0.0636                 1.5604
 Delta2 Fr= 1--     -0.1926                -0.0327                 0.5004
 Raman1 Fr= 1--       6.669                  3.868                 11.429
 ROA1   Fr= 1--     -62.713                  5.058                165.808
 CID1   Fr= 1--      -9.404                  1.308                 14.507
 Raman2 Fr= 1--       1.279                  1.391                  4.606
 ROA2   Fr= 1--     -12.596                  1.788                 33.445
 CID2   Fr= 1--      -9.848                  1.285                  7.261
 Raman3 Fr= 1--       2.558                  2.783                  9.213
 ROA3   Fr= 1--     -62.713                  5.058                165.808
 CID3   Fr= 1--     -24.516                  1.817                 17.998
 RC180  Fr= 1--      -0.233                  0.439                  0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03   0.01   0.00    -0.01  -0.00  -0.00    -0.01   0.03   0.02
     2   6    -0.13  -0.01  -0.02     0.05   0.01   0.00    -0.05   0.05  -0.07
     3   1    -0.14   0.19  -0.05     0.01  -0.03   0.00     0.15  -0.18   0.06
     4   1     0.34  -0.36   0.38    -0.24   0.09  -0.04     0.53  -0.39   0.42
     5   6     0.04  -0.02   0.00    -0.02   0.00   0.00     0.03  -0.01  -0.03
     6   6     0.04   0.22   0.05    -0.02   0.01   0.00     0.02  -0.06  -0.01
     7   1     0.04   0.05  -0.08    -0.01  -0.03  -0.00    -0.01   0.04   0.19
     8   1    -0.09   0.05  -0.08     0.07  -0.01  -0.01    -0.15  -0.03   0.07
     9   1    -0.11  -0.06   0.04     0.04   0.02  -0.01    -0.15   0.01   0.14
    10   6    -0.03  -0.06  -0.01    -0.15  -0.08  -0.02     0.00  -0.00  -0.00
    11   6     0.08  -0.07  -0.01     0.09  -0.02   0.00    -0.05   0.02   0.00
    12   6    -0.01   0.08   0.02    -0.02   0.15   0.03     0.00  -0.00  -0.00
    13   6    -0.09  -0.07  -0.02    -0.07  -0.04  -0.01     0.04   0.04   0.01
    14   6     0.08  -0.07  -0.01     0.15  -0.04   0.00     0.00  -0.01  -0.00
    15   1    -0.27  -0.23  -0.07     0.43   0.36   0.10     0.14   0.10   0.02
    16   1    -0.37   0.10  -0.01     0.20  -0.06   0.00     0.22  -0.09  -0.00
    17   1     0.01  -0.06  -0.01     0.05  -0.34  -0.07     0.02  -0.14  -0.03
    18   1     0.19   0.14   0.05    -0.13  -0.09  -0.03    -0.19  -0.13  -0.04
    19   1     0.20  -0.12  -0.01    -0.50   0.24   0.02    -0.18   0.07   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1394.0529              1413.0389              1484.9550
 Red. masses --      1.4144                 1.3613                 1.0791
 Frc consts  --      1.6195                 1.6015                 1.4020
 IR Inten    --     28.4614                13.8879                 1.6931
 RamAct Fr= 1--      5.8930                 6.1710                 6.2673
  Dep-P Fr= 1--      0.3348                 0.4918                 0.6502
  Dep-U Fr= 1--      0.5016                 0.6594                 0.7880
 Alpha2 Fr= 1--      0.0543                 0.0316                 0.0112
 Beta2  Fr= 1--      0.4927                 0.6782                 0.8232
 AlphaG Fr= 1--      0.0254                -0.0041                 0.0232
 Gamma2 Fr= 1--     -0.1076                -0.3978                 2.3431
 Delta2 Fr= 1--     -0.9123                 0.0416                 0.0431
 Raman1 Fr= 1--      23.572                 24.684                 25.069
 ROA1   Fr= 1--     -39.523                -36.857                226.319
 CID1   Fr= 1--      -1.677                 -1.493                  9.028
 Raman2 Fr= 1--       5.912                  8.138                  9.878
 ROA2   Fr= 1--       4.716                 -9.879                 55.890
 CID2   Fr= 1--       0.798                 -1.214                  5.658
 Raman3 Fr= 1--      11.824                 16.276                 19.756
 ROA3   Fr= 1--     -39.523                -36.857                226.319
 CID3   Fr= 1--      -3.343                 -2.264                 11.456
 RC180  Fr= 1--       0.003                  0.319                  0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.01  -0.02     0.02  -0.02  -0.02     0.00   0.00  -0.00
     2   6    -0.12  -0.03   0.09    -0.04  -0.03   0.08    -0.03  -0.02  -0.00
     3   1    -0.23   0.29  -0.10    -0.19   0.24  -0.07    -0.01   0.03  -0.00
     4   1     0.51   0.13  -0.38     0.04   0.19  -0.28     0.06  -0.01  -0.05
     5   6     0.02   0.02   0.06     0.07   0.03  -0.12    -0.03  -0.03  -0.02
     6   6     0.04  -0.03  -0.02     0.00   0.01  -0.01    -0.00   0.02   0.00
     7   1     0.06  -0.00  -0.33     0.02  -0.07   0.45    -0.03   0.32  -0.35
     8   1    -0.00   0.17  -0.18    -0.26  -0.22   0.38     0.13  -0.30   0.38
     9   1     0.08  -0.16  -0.28    -0.37   0.11   0.36     0.48   0.42   0.29
    10   6     0.01  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.00   0.00
    11   6    -0.04   0.01  -0.00     0.00  -0.00   0.00    -0.02  -0.01  -0.00
    12   6     0.00   0.00   0.00    -0.00   0.01   0.00    -0.01   0.02   0.00
    13   6     0.02   0.03   0.01    -0.00  -0.00   0.00     0.02   0.01   0.00
    14   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.02  -0.00
    15   1     0.08   0.05   0.01     0.02   0.02  -0.01    -0.03  -0.04  -0.01
    16   1     0.13  -0.06  -0.01     0.00  -0.00   0.00     0.02  -0.03  -0.00
    17   1     0.02  -0.12  -0.02     0.00  -0.01  -0.00     0.01  -0.10  -0.02
    18   1    -0.16  -0.11  -0.04    -0.01  -0.01  -0.00    -0.07  -0.07  -0.02
    19   1    -0.15   0.05  -0.01    -0.00   0.00  -0.02    -0.02  -0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.6808              1496.5617              1532.7118
 Red. masses --      1.6531                 1.1974                 2.2114
 Frc consts  --      2.1643                 1.5801                 3.0608
 IR Inten    --     16.0986                 0.4174                 7.2085
 RamAct Fr= 1--      0.9175                 4.6045                 0.2846
  Dep-P Fr= 1--      0.7229                 0.7300                 0.2979
  Dep-U Fr= 1--      0.8392                 0.8440                 0.4591
 Alpha2 Fr= 1--      0.0004                 0.0016                 0.0029
 Beta2  Fr= 1--      0.1283                 0.6477                 0.0218
 AlphaG Fr= 1--      0.0035                -0.0187                 0.0029
 Gamma2 Fr= 1--     -1.0863                -1.0955                 0.0799
 Delta2 Fr= 1--      0.4652                -1.3337                -0.0898
 Raman1 Fr= 1--       3.670                 18.418                  1.138
 ROA1   Fr= 1--     -89.395               -147.844                  4.800
 CID1   Fr= 1--     -24.358                 -8.027                  4.216
 Raman2 Fr= 1--       1.540                  7.772                  0.261
 ROA2   Fr= 1--     -29.793                -15.621                  2.637
 CID2   Fr= 1--     -19.347                 -2.010                 10.092
 Raman3 Fr= 1--       3.080                 15.544                  0.523
 ROA3   Fr= 1--     -89.395               -147.844                  4.800
 CID3   Fr= 1--     -29.026                 -9.511                  9.185
 RC180  Fr= 1--       0.678                  0.688                 -0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.02   0.01   0.01    -0.04   0.03  -0.00    -0.03  -0.01  -0.00
     3   1     0.00  -0.01   0.00    -0.02   0.02  -0.01    -0.01   0.01  -0.00
     4   1     0.23  -0.03  -0.03     0.16  -0.04   0.05    -0.04  -0.01   0.01
     5   6     0.01  -0.03  -0.00    -0.03   0.04  -0.01    -0.01  -0.00   0.00
     6   6     0.02  -0.11  -0.03     0.01  -0.06  -0.01     0.14   0.02   0.01
     7   1    -0.06   0.46   0.04     0.08  -0.54  -0.25     0.01  -0.02  -0.08
     8   1    -0.36   0.01   0.06     0.59  -0.14   0.07     0.07  -0.04   0.03
     9   1     0.26   0.05  -0.09    -0.20   0.11   0.27     0.03   0.05   0.05
    10   6    -0.07   0.03   0.00    -0.03   0.02   0.00    -0.05  -0.11  -0.02
    11   6     0.10   0.02   0.01     0.04   0.01   0.00    -0.13   0.09   0.01
    12   6     0.02  -0.09  -0.02     0.00  -0.05  -0.01     0.11   0.01   0.01
    13   6    -0.11  -0.01  -0.01    -0.04   0.01  -0.00    -0.09  -0.11  -0.03
    14   6     0.06   0.05   0.01     0.03   0.02   0.01    -0.08   0.08   0.01
    15   1     0.09   0.16   0.03     0.01   0.05   0.02     0.38   0.20   0.06
    16   1    -0.22   0.17   0.02    -0.12   0.08   0.01     0.47  -0.15   0.00
    17   1    -0.06   0.46   0.09    -0.03   0.21   0.04     0.13   0.01   0.01
    18   1     0.20   0.23   0.06     0.06   0.09   0.02     0.40   0.24   0.08
    19   1    -0.10   0.12   0.02    -0.08   0.07   0.01     0.43  -0.11   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1630.1248              1649.1533              2979.9925
 Red. masses --      5.5115                 5.5518                 1.0837
 Frc consts  --      8.6291                 8.8963                 5.6699
 IR Inten    --      0.3969                 2.0979                42.1206
 RamAct Fr= 1--      7.6608                45.9390                98.9528
  Dep-P Fr= 1--      0.7465                 0.5823                 0.2155
  Dep-U Fr= 1--      0.8549                 0.7360                 0.3546
 Alpha2 Fr= 1--      0.0005                 0.1443                 1.2891
 Beta2  Fr= 1--      1.0915                 5.6351                 5.8489
 AlphaG Fr= 1--      0.0040                 0.0368                 1.1963
 Gamma2 Fr= 1--     -0.5701                 0.5550                 5.6244
 Delta2 Fr= 1--      0.0312                -0.2083                -0.0441
 Raman1 Fr= 1--      30.643                183.756                395.811
 ROA1   Fr= 1--     -53.728                 46.609                538.532
 CID1   Fr= 1--      -1.753                  0.254                  1.361
 Raman2 Fr= 1--      13.098                 67.621                 70.187
 ROA2   Fr= 1--     -13.932                 14.985                135.338
 CID2   Fr= 1--      -1.064                  0.222                  1.928
 Raman3 Fr= 1--      26.196                135.241                140.373
 ROA3   Fr= 1--     -53.728                 46.609                538.532
 CID3   Fr= 1--      -2.051                  0.345                  3.836
 RC180  Fr= 1--       0.710                  0.472                 -0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6    -0.02   0.04   0.01     0.03   0.00   0.00    -0.02  -0.07  -0.04
     3   1     0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   1     0.24  -0.02   0.00     0.01   0.02  -0.02     0.18   0.83   0.52
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     6   6     0.04  -0.30  -0.06    -0.22  -0.01  -0.01     0.00  -0.00  -0.00
     7   1     0.00  -0.01  -0.01    -0.00   0.01   0.04    -0.04  -0.00  -0.01
     8   1     0.01   0.01  -0.01    -0.03   0.00   0.00    -0.01  -0.06  -0.03
     9   1    -0.01  -0.00   0.01    -0.01  -0.01  -0.01     0.02  -0.02   0.01
    10   6     0.08   0.20   0.05     0.28   0.11   0.04     0.00   0.00  -0.00
    11   6     0.08  -0.19  -0.03    -0.28   0.04  -0.01     0.00  -0.00  -0.00
    12   6    -0.04   0.35   0.07     0.14   0.01   0.01     0.00   0.00   0.00
    13   6    -0.05  -0.21  -0.05    -0.25  -0.09  -0.04    -0.00   0.00   0.00
    14   6    -0.12   0.17   0.03     0.31  -0.06   0.01     0.00   0.00   0.00
    15   1    -0.29  -0.07  -0.03    -0.26  -0.30  -0.07    -0.00   0.00   0.00
    16   1    -0.22  -0.08  -0.03     0.28  -0.20  -0.02     0.00   0.00   0.00
    17   1     0.08  -0.47  -0.09     0.15   0.03   0.02    -0.00   0.00  -0.00
    18   1     0.26  -0.00   0.02     0.20   0.25   0.07    -0.00   0.00  -0.00
    19   1     0.30   0.01   0.02    -0.35   0.22   0.03    -0.01  -0.02  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3041.5876              3111.8572              3115.3334
 Red. masses --      1.0337                 1.1030                 1.1023
 Frc consts  --      5.6345                 6.2928                 6.3032
 IR Inten    --     16.5469                25.2980                20.0056
 RamAct Fr= 1--    196.9194                91.3956                74.4123
  Dep-P Fr= 1--      0.0313                 0.5671                 0.6952
  Dep-U Fr= 1--      0.0607                 0.7237                 0.8202
 Alpha2 Fr= 1--      4.0659                 0.3161                 0.0713
 Beta2  Fr= 1--      1.9936                11.0245                10.1720
 AlphaG Fr= 1--      0.0087                -0.0797                 0.0595
 Gamma2 Fr= 1--      1.0825                -3.0050                 1.2597
 Delta2 Fr= 1--     -0.1484                -7.3875                 7.5491
 Raman1 Fr= 1--     787.678                365.582                297.649
 ROA1   Fr= 1--      99.171               -524.878                362.503
 CID1   Fr= 1--       0.126                 -1.436                  1.218
 Raman2 Fr= 1--      23.923                132.294                122.064
 ROA2   Fr= 1--      27.167                -13.019                -30.160
 CID2   Fr= 1--       1.136                 -0.098                 -0.247
 Raman3 Fr= 1--      47.847                264.589                244.129
 ROA3   Fr= 1--      99.171               -524.878                362.503
 CID3   Fr= 1--       2.073                 -1.984                  1.485
 RC180  Fr= 1--      -0.879                  0.447                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
     3   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   1    -0.00  -0.00  -0.00     0.01   0.07   0.04     0.00   0.02   0.02
     5   6    -0.02   0.00   0.04    -0.06  -0.07  -0.03     0.06  -0.07   0.03
     6   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   1     0.58   0.08   0.07     0.64   0.07   0.07    -0.47  -0.08  -0.05
     8   1    -0.11  -0.50  -0.31     0.11   0.62   0.39     0.06   0.22   0.15
     9   1    -0.21   0.42  -0.26    -0.06   0.09  -0.07    -0.31   0.65  -0.41
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3157.9221              3168.8522              3178.6958
 Red. masses --      1.0868                 1.0862                 1.0902
 Frc consts  --      6.3858                 6.4265                 6.4900
 IR Inten    --      7.6796                 0.1090                14.5037
 RamAct Fr= 1--     50.9596                94.3631               103.8308
  Dep-P Fr= 1--      0.4650                 0.6379                 0.6596
  Dep-U Fr= 1--      0.6348                 0.7789                 0.7949
 Alpha2 Fr= 1--      0.2937                 0.1914                 0.1676
 Beta2  Fr= 1--      5.3918                12.2501                13.7555
 AlphaG Fr= 1--     -0.0826                -0.0495                -0.0135
 Gamma2 Fr= 1--     -0.4124                 1.0321                -0.8547
 Delta2 Fr= 1--      0.2702                 0.3998                -0.4908
 Raman1 Fr= 1--     203.838                377.452                415.323
 ROA1   Fr= 1--     -30.943                111.879                -97.760
 CID1   Fr= 1--      -0.152                  0.296                 -0.235
 Raman2 Fr= 1--      64.702                147.002                165.066
 ROA2   Fr= 1--     -12.059                 21.573                -16.587
 CID2   Fr= 1--      -0.186                  0.147                 -0.100
 Raman3 Fr= 1--     129.404                294.003                330.132
 ROA3   Fr= 1--     -30.943                111.879                -97.760
 CID3   Fr= 1--      -0.239                  0.381                 -0.296
 RC180  Fr= 1--       0.270                  0.558                  0.590
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   1     0.01   0.02   0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   1     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.00   0.00   0.00    -0.02   0.02   0.00    -0.02   0.03   0.00
    11   6    -0.00  -0.01  -0.00    -0.02  -0.05  -0.01    -0.01  -0.03  -0.01
    12   6     0.01   0.00   0.00     0.04   0.01   0.00    -0.04  -0.00  -0.00
    13   6    -0.02   0.03   0.00    -0.01   0.01   0.00     0.03  -0.04  -0.01
    14   6    -0.03  -0.07  -0.02     0.01   0.02   0.01    -0.01  -0.02  -0.01
    15   1     0.03  -0.04  -0.01     0.20  -0.25  -0.04     0.25  -0.32  -0.05
    16   1     0.04   0.11   0.03     0.26   0.62   0.15     0.16   0.39   0.09
    17   1    -0.17  -0.02  -0.02    -0.53  -0.07  -0.05     0.41   0.05   0.04
    18   1     0.24  -0.32  -0.05     0.12  -0.15  -0.02    -0.38   0.49   0.08
    19   1     0.33   0.80   0.20    -0.11  -0.27  -0.07     0.11   0.26   0.06
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3188.2761              3195.5658              3792.7286
 Red. masses --      1.0927                 1.0973                 1.0661
 Frc consts  --      6.5445                 6.6017                 9.0355
 IR Inten    --     18.2977                12.4077                20.4374
 RamAct Fr= 1--     22.2716               334.5951                94.0343
  Dep-P Fr= 1--      0.5290                 0.0937                 0.1710
  Dep-U Fr= 1--      0.6919                 0.1713                 0.2921
 Alpha2 Fr= 1--      0.0954                 5.9492                 1.3776
 Beta2  Fr= 1--      2.5684                 9.5542                 4.5778
 AlphaG Fr= 1--     -0.0624                -0.0005                -1.4945
 Gamma2 Fr= 1--     -0.0139                -0.4049                -8.6613
 Delta2 Fr= 1--     -1.6825                 0.4632                -1.3626
 Raman1 Fr= 1--      89.086               1338.380                376.137
 ROA1   Fr= 1--     -55.173                -24.047               -875.092
 CID1   Fr= 1--      -0.619                 -0.018                 -2.327
 Raman2 Fr= 1--      30.821                114.650                 54.933
 ROA2   Fr= 1--      13.127                -13.423               -196.971
 CID2   Fr= 1--       0.426                 -0.117                 -3.586
 Raman3 Fr= 1--      61.642                229.300                109.866
 ROA3   Fr= 1--     -55.173                -24.047               -875.092
 CID3   Fr= 1--      -0.895                 -0.105                 -7.965
 RC180  Fr= 1--       0.384                 -0.657                 -0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.03   0.01  -0.05
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.45  -0.16   0.88
     4   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.04  -0.05  -0.01     0.03  -0.03  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.02  -0.00    -0.02  -0.04  -0.01    -0.00  -0.00  -0.00
    12   6     0.03   0.01   0.00    -0.05  -0.01  -0.00     0.00  -0.00   0.00
    13   6     0.03  -0.03  -0.01    -0.02   0.03   0.01     0.00   0.00  -0.00
    14   6    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    15   1    -0.44   0.56   0.09    -0.28   0.35   0.05    -0.00  -0.00  -0.00
    16   1     0.09   0.21   0.05     0.19   0.46   0.11     0.00   0.00   0.00
    17   1    -0.39  -0.05  -0.04     0.59   0.07   0.05     0.00  -0.00   0.00
    18   1    -0.30   0.38   0.06     0.24  -0.31  -0.05     0.00  -0.00  -0.00
    19   1     0.06   0.14   0.03    -0.04  -0.10  -0.02    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   517.510441627.663341835.40748
           X            0.99984   0.01236  -0.01287
           Y           -0.01215   0.99980   0.01611
           Z            0.01306  -0.01595   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16737     0.05321     0.04719
 Rotational constants (GHZ):           3.48735     1.10879     0.98329
 Zero-point vibrational energy     422585.9 (Joules/Mol)
                                  101.00045 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     61.88   184.99   299.70   363.95   441.33
          (Kelvin)            475.88   526.53   597.19   699.33   793.80
                              892.49   917.68  1029.55  1119.61  1124.66
                             1241.26  1320.38  1340.93  1394.30  1415.45
                             1451.95  1476.44  1515.75  1540.25  1585.96
                             1624.57  1704.65  1729.09  1758.62  1841.97
                             1898.41  1949.16  1995.11  2005.73  2033.05
                             2136.52  2144.76  2153.22  2205.23  2345.39
                             2372.76  4287.54  4376.17  4477.27  4482.27
                             4543.55  4559.27  4573.43  4587.22  4597.71
                             5456.89
 
 Zero-point correction=                           0.160954 (Hartree/Particle)
 Thermal correction to Energy=                    0.169314
 Thermal correction to Enthalpy=                  0.170258
 Thermal correction to Gibbs Free Energy=         0.127601
 Sum of electronic and zero-point Energies=           -386.117534
 Sum of electronic and thermal Energies=              -386.109175
 Sum of electronic and thermal Enthalpies=            -386.108231
 Sum of electronic and thermal Free Energies=         -386.150888
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.246             32.149             89.780
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.826
 Vibrational            104.468             26.187             20.641
 Vibration     1          0.595              1.980              5.116
 Vibration     2          0.611              1.925              2.967
 Vibration     3          0.642              1.828              2.059
 Vibration     4          0.664              1.758              1.710
 Vibration     5          0.697              1.661              1.380
 Vibration     6          0.713              1.614              1.256
 Vibration     7          0.739              1.542              1.097
 Vibration     8          0.778              1.438              0.909
 Vibration     9          0.842              1.281              0.694
 Vibration    10          0.907              1.136              0.541
 Vibration    11          0.980              0.989              0.416
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.203176D-58        -58.692129       -135.143620
 Total V=0       0.219643D+16         15.341717         35.325609
 Vib (Bot)       0.861060D-72        -72.064966       -165.935718
 Vib (Bot)    1  0.480987D+01          0.682133          1.570670
 Vib (Bot)    2  0.158612D+01          0.200336          0.461290
 Vib (Bot)    3  0.954148D+00         -0.020384         -0.046936
 Vib (Bot)    4  0.770463D+00         -0.113248         -0.260763
 Vib (Bot)    5  0.617618D+00         -0.209280         -0.481886
 Vib (Bot)    6  0.564650D+00         -0.248221         -0.571550
 Vib (Bot)    7  0.498856D+00         -0.302025         -0.695439
 Vib (Bot)    8  0.424629D+00         -0.371990         -0.856539
 Vib (Bot)    9  0.342292D+00         -0.465603         -1.072090
 Vib (Bot)   10  0.283972D+00         -0.546724         -1.258880
 Vib (Bot)   11  0.235674D+00         -0.627689         -1.445307
 Vib (V=0)       0.930849D+02          1.968879          4.533512
 Vib (V=0)    1  0.533579D+01          0.727198          1.674436
 Vib (V=0)    2  0.216306D+01          0.335069          0.771524
 Vib (V=0)    3  0.157722D+01          0.197892          0.455663
 Vib (V=0)    4  0.141848D+01          0.151825          0.349589
 Vib (V=0)    5  0.129464D+01          0.112149          0.258232
 Vib (V=0)    6  0.125421D+01          0.098369          0.226504
 Vib (V=0)    7  0.120630D+01          0.081455          0.187556
 Vib (V=0)    8  0.115598D+01          0.062950          0.144948
 Vib (V=0)    9  0.110594D+01          0.043732          0.100696
 Vib (V=0)   10  0.107501D+01          0.031414          0.072333
 Vib (V=0)   11  0.105276D+01          0.022329          0.051414
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.445096D+06          5.648454         13.006045
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                3333333  3 2                                           11 1111111111111111111                                  
     7                1111111  0 9                                           66 54444333322211100009999 877  7 66 5 4  4333 2 2 1    
     9                9876511  4 8                                           43 39981985182082075208631 687  1 32 5 8  1630 5 0 2  4 
     3                6899852  2 0                                           90 37153475902259214694928 328  6 80 2 6  5617 3 8 9  3 
 
     X                XXXXXXX  X X                                           XX XXXXXXXXXXXXXXXXXXXX XX XXX  X XX X X  XXXX X X X  X 
     X                XXX XXX  X X                                              X X XX  XX   XXX  X   X   X  X  X X     XX           
     X                XXX  XX  X X                                                X XX  XX   XXX  X       X  X    X     XX           
     X                 X   XX    X                                                   X  XX    XX  X       X  X    X     XX           
                            X    X                                                   X   X    X   X       X  X          XX           
                                 X                                                   X   X    X   X          X          XX           
                                 X                                                       X    X   X          X          XX           
                                 X                                                       X        X          X          XX           
                                 X                                                       X        X          X           X           
                                                                                         X                               X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000008896    0.000001307   -0.000000556
      2        6           0.000011671   -0.000009850    0.000001709
      3        1           0.000002840   -0.000003502    0.000002386
      4        1          -0.000005052    0.000001867   -0.000001673
      5        6          -0.000001543    0.000001372   -0.000005005
      6        6          -0.000004773    0.000028650    0.000007567
      7        1          -0.000000092    0.000001046    0.000001724
      8        1          -0.000000484    0.000002188   -0.000002097
      9        1          -0.000000036    0.000002000   -0.000001939
     10        6          -0.000017629   -0.000018327   -0.000005287
     11        6           0.000023488   -0.000010615   -0.000000843
     12        6          -0.000004549    0.000025099    0.000005038
     13        6          -0.000022285   -0.000014946   -0.000004968
     14        6           0.000028933   -0.000010463    0.000001388
     15        1           0.000002584    0.000001650   -0.000000070
     16        1          -0.000002717    0.000000792   -0.000001915
     17        1          -0.000000444   -0.000002946    0.000000929
     18        1           0.000001874    0.000002784    0.000001341
     19        1          -0.000002889    0.000001894    0.000002274
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028933 RMS     0.000009456
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129064D+03  0.771688D+00  0.731508D+00
      2   0.771688D+00  0.103784D+03  0.515564D+01
      3   0.731508D+00  0.515564D+01  0.730160D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.130897D+01  0.598070D+01  0.441525D+01
      2   0.246157D+01  0.134458D+02 -0.805560D+01
      3  -0.840712D+01 -0.415459D+02 -0.133169D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.955279D+02  0.407123D+01  0.654426D+01
      2  -0.309449D+02 -0.119738D+02 -0.151308D+02
      3  -0.645830D+02  0.790252D+01  0.858658D+01
      4  -0.137063D+02  0.819267D+02  0.309622D+02
      5   0.322329D+02  0.321975D+02 -0.240578D+02
      6   0.130916D+02  0.938490D+01 -0.613928D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.658808D+01  0.210803D+01 -0.132008D+01  0.413365D+01 -0.235306D+01
      2   0.210803D+01 -0.119873D+01  0.191758D+01 -0.235306D+01  0.124605D+01
      3  -0.132008D+01  0.191758D+01 -0.369493D+01  0.150078D+01 -0.131332D+01
                 6             7             8             9            10 
      1   0.150078D+01  0.657438D+00  0.939583D+00 -0.261710D+01  0.687331D+01
      2  -0.131332D+01  0.939583D+00  0.123088D+01 -0.843408D+00  0.371495D+00
      3  -0.322601D+00 -0.261710D+01 -0.843408D+00  0.410733D+01 -0.108532D+01
                11            12            13            14            15 
      1   0.371495D+00 -0.108532D+01 -0.317997D+00  0.308160D+01 -0.184883D+01
      2   0.662605D+00 -0.137120D+01  0.308160D+01  0.428079D+01  0.402007D+01
      3  -0.137120D+01  0.241284D+01 -0.184883D+01  0.402007D+01  0.985042D+00
                16            17            18            19            20 
      1  -0.465574D+01 -0.153878D+01  0.509758D+01  0.123380D+01  0.540953D-01
      2  -0.153878D+01  0.255155D+01  0.195842D+01  0.540953D-01  0.575404D+00
      3   0.509758D+01  0.195842D+01 -0.147390D+01 -0.448085D+00 -0.108019D+01
                21            22            23            24            25 
      1  -0.448085D+00  0.217706D+00 -0.287654D+00 -0.889527D-01 -0.188344D+01
      2  -0.108019D+01 -0.287654D+00  0.137721D+01 -0.128773D+01  0.129231D+00
      3   0.269907D+01 -0.889527D-01 -0.128773D+01  0.159534D+01 -0.496107D-01
                26            27            28            29            30 
      1   0.129231D+00 -0.496107D-01 -0.724705D+00 -0.146832D+01 -0.533879D+00
      2  -0.181447D+01  0.230390D+01 -0.146832D+01 -0.104541D+01 -0.364222D+00
      3   0.230390D+01 -0.761828D+01 -0.533879D+00 -0.364222D+00 -0.928952D+00
                31            32            33            34            35 
      1  -0.310969D+01 -0.213970D+01 -0.553244D+00 -0.605536D+00 -0.679551D+00
      2  -0.213970D+01 -0.615432D+01 -0.232894D+01 -0.679551D+00 -0.248539D+01
      3  -0.553244D+00 -0.232894D+01 -0.229515D+01 -0.134586D+01 -0.205655D+01
                36            37            38            39            40 
      1  -0.134586D+01  0.960896D+01  0.173828D+01  0.186747D-01  0.150472D+01
      2  -0.205655D+01  0.173828D+01 -0.182655D+01  0.100214D+01 -0.160267D+01
      3  -0.217466D+01  0.186747D-01  0.100214D+01 -0.286746D+01  0.126266D+01
                41            42            43            44            45 
      1  -0.160267D+01  0.126266D+01  0.631240D+01  0.157192D+01 -0.418777D+01
      2  -0.264693D+00 -0.455193D+01  0.157192D+01 -0.323714D+01 -0.116231D+01
      3  -0.455193D+01 -0.508646D+00 -0.418777D+01 -0.116231D+01  0.100193D+01
                46            47            48            49            50 
      1  -0.199146D+02 -0.200130D+01 -0.212366D-01 -0.359090D+01  0.131003D+01
      2  -0.200130D+01 -0.258728D+01  0.323889D+00  0.131003D+01 -0.526068D+00
      3  -0.212366D-01  0.323889D+00 -0.229585D+01  0.116830D+01 -0.269688D+00
                51            52            53            54            55 
      1   0.116830D+01 -0.920822D+00  0.119280D+01 -0.437815D+01 -0.147551D+02
      2  -0.269688D+00  0.119280D+01 -0.564481D+00 -0.541620D+00 -0.182444D+01
      3  -0.136873D+00 -0.437815D+01 -0.541620D+00 -0.647069D+00  0.173825D+01
                56            57            58            59            60 
      1  -0.182444D+01  0.173825D+01 -0.178588D+01 -0.157336D+01  0.217862D+00
      2  -0.116502D+01  0.221211D+00 -0.157336D+01 -0.597274D+00  0.598569D+00
      3   0.221211D+00 -0.152031D+01  0.217862D+00  0.598569D+00 -0.238118D+00
                61            62            63            64            65 
      1  -0.155006D+01 -0.289723D+00 -0.694207D+00 -0.314135D+00  0.641818D+00
      2  -0.289723D+00  0.788535D-01 -0.681252D-01  0.641818D+00  0.393056D+00
      3  -0.694207D+00 -0.681252D-01 -0.175031D+00  0.229410D+00  0.462321D-01
                66            67            68            69            70 
      1   0.229410D+00  0.186605D+01 -0.151959D+00 -0.841002D+00  0.604807D+00
      2   0.462321D-01 -0.151959D+00  0.366177D+01  0.247851D+01 -0.313198D+00
      3   0.913336D+00 -0.841002D+00  0.247851D+01  0.317096D+01 -0.124831D+00
                71            72            73            74            75 
      1  -0.313198D+00 -0.124831D+00 -0.123744D+00 -0.971020D+00  0.557393D+00
      2   0.202295D+01  0.166020D+01 -0.971020D+00  0.121422D+01 -0.851662D+00
      3   0.166020D+01  0.334545D+01  0.557393D+00 -0.851662D+00  0.156960D+01
                76            77            78            79            80 
      1  -0.144128D+01  0.266244D+00 -0.476379D-01  0.324338D+00 -0.233803D+00
      2   0.266244D+00 -0.412693D+01  0.274908D+01 -0.233803D+00  0.209302D+01
      3  -0.476379D-01  0.274908D+01 -0.256896D+01  0.337645D+00 -0.180540D+01
                81            82            83            84            85 
      1   0.337645D+00  0.457843D+01 -0.698231D+00  0.336179D+00  0.900694D+01
      2  -0.180540D+01 -0.698231D+00 -0.316915D+01 -0.665604D+00  0.939026D-01
      3   0.296528D+01  0.336179D+00 -0.665604D+00 -0.142924D+01  0.534171D+00
                86            87            88            89            90 
      1   0.939026D-01  0.534171D+00  0.292860D+01 -0.124236D+00 -0.177239D+01
      2   0.147048D+01 -0.893280D+00 -0.124236D+00 -0.151825D+01  0.311729D+01
      3  -0.893280D+00  0.174881D+01 -0.177239D+01  0.311729D+01  0.118247D+01
                91            92            93            94            95 
      1  -0.478458D+01 -0.625299D+00 -0.294494D+00  0.524032D+01  0.802300D-01
      2  -0.625299D+00  0.224446D+01 -0.244601D+00  0.802300D-01  0.992706D+00
      3  -0.294494D+00 -0.244601D+00  0.785978D+00 -0.292672D+00 -0.100768D+01
                96            97            98            99           100 
      1  -0.292672D+00  0.506180D+00 -0.756725D+00  0.191300D+01  0.590032D+01
      2  -0.100768D+01 -0.756725D+00 -0.129419D+01  0.365519D+01  0.347421D+00
      3   0.143828D+01  0.191300D+01  0.365519D+01  0.237354D+01 -0.392328D+00
               101           102           103           104           105 
      1   0.347421D+00 -0.392328D+00  0.886327D+00 -0.315553D+00 -0.111578D+01
      2   0.321816D+01  0.195599D+00 -0.315553D+00  0.262990D+00 -0.461657D+00
      3   0.195599D+00  0.223375D+01 -0.111578D+01 -0.461657D+00  0.164809D+00
               106           107           108           109           110 
      1  -0.216897D-01 -0.116768D+01  0.533643D+01 -0.322886D+01 -0.683956D+00
      2  -0.116768D+01  0.640004D-01  0.487421D+00 -0.683956D+00  0.253172D+01
      3   0.533643D+01  0.487421D+00  0.880932D+00 -0.494466D+00  0.767963D+00
               111           112           113           114           115 
      1  -0.494466D+00 -0.583197D+01 -0.100614D+01 -0.107003D+01 -0.189539D+01
      2   0.767963D+00 -0.100614D+01 -0.825989D+00  0.110273D+01 -0.678979D+00
      3   0.137615D+01 -0.107003D+01  0.110273D+01 -0.146736D+01  0.281072D+01
               116           117           118           119           120 
      1  -0.678979D+00  0.281072D+01  0.652047D+01  0.245025D+01  0.900885D+00
      2   0.168037D+01 -0.310834D+01  0.245025D+01 -0.222761D+01 -0.193388D+00
      3  -0.310834D+01 -0.122944D+01  0.900885D+00 -0.193388D+00 -0.513695D+00
               121           122           123           124           125 
      1  -0.734507D+01 -0.531082D+00  0.147199D+00 -0.686836D+00  0.105078D+01
      2  -0.531082D+00 -0.161885D+01  0.117641D+01  0.105078D+01  0.122313D+01
      3   0.147199D+00  0.117641D+01 -0.165570D+01 -0.980215D+00 -0.350847D+01
               126           127           128           129           130 
      1  -0.980215D+00 -0.327014D+01  0.230443D+01  0.240937D+00  0.241300D+01
      2  -0.350847D+01  0.230443D+01 -0.276885D+01 -0.313940D+00 -0.286160D+01
      3  -0.267008D+01  0.240937D+00 -0.313940D+00 -0.441567D+00 -0.522689D+00
               131           132           133           134           135 
      1  -0.286160D+01 -0.522689D+00  0.245162D+00 -0.463995D+00 -0.789630D-02
      2   0.597916D+01  0.828473D+00 -0.463995D+00  0.104099D+01  0.206894D+00
      3   0.828473D+00  0.826651D+00 -0.789630D-02  0.206894D+00  0.196862D+00
               136           137           138           139           140 
      1   0.231062D+01  0.266321D+01  0.655033D+00  0.235111D+01  0.381729D+01
      2   0.266321D+01  0.286949D+01  0.660191D+00  0.381729D+01  0.943369D+01
      3   0.655033D+00  0.660191D+00  0.488684D+00  0.850721D+00  0.194569D+01
               141           142           143           144           145 
      1   0.850721D+00  0.683173D+00  0.959365D+00  0.280624D+00  0.132720D+02
      2   0.194569D+01  0.959365D+00  0.209093D+01  0.576303D+00  0.126286D+01
      3   0.128028D+01  0.280624D+00  0.576303D+00  0.364049D+00  0.979117D+00
               146           147           148           149           150 
      1   0.126286D+01  0.979117D+00  0.115946D+01  0.169603D+01  0.396239D+00
      2   0.899776D+00  0.750357D-01  0.169603D+01  0.470708D+00  0.152205D+00
      3   0.750357D-01  0.971681D+00  0.396239D+00  0.152205D+00  0.152032D+00
               151           152           153           154           155 
      1   0.104034D+01  0.388925D+00  0.211073D+00  0.499010D+01 -0.391865D+01
      2   0.388925D+00  0.118364D+00  0.398826D-01 -0.391865D+01  0.358389D+01
      3   0.211073D+00  0.398826D-01  0.161085D+00 -0.592911D+00  0.453419D+00
               156           157           158           159           160 
      1  -0.592911D+00 -0.377249D+01  0.450102D+01  0.800874D+00 -0.605109D+00
      2   0.453419D+00  0.450102D+01 -0.668345D+01 -0.104256D+01  0.690453D+00
      3   0.609106D+00  0.800874D+00 -0.104256D+01 -0.911074D+00  0.237512D+00
               161           162           163           164           165 
      1   0.690453D+00  0.237512D+00 -0.158409D+01 -0.175067D+01 -0.473075D+00
      2  -0.124681D+01 -0.302239D+00 -0.175067D+01 -0.220418D+01 -0.578463D+00
      3  -0.302239D+00 -0.207848D+00 -0.473075D+00 -0.578463D+00 -0.368191D+00
               166           167           168           169           170 
      1  -0.158401D+01 -0.202358D+01 -0.497972D+00 -0.477821D+00 -0.676383D+00
      2  -0.202358D+01 -0.837797D+01 -0.189494D+01 -0.676383D+00 -0.203432D+01
      3  -0.497972D+00 -0.189494D+01 -0.125774D+01 -0.665474D-01 -0.609046D+00
               171 
      1  -0.665474D-01
      2  -0.609046D+00
      3  -0.382620D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.567941D+00  0.287149D+01  0.272408D+01  0.169866D+00 -0.332550D+01
      2  -0.440934D+01 -0.396819D+01  0.134389D+02 -0.330299D+00  0.526164D+00
      3   0.392512D+01 -0.993296D+01  0.575284D+01 -0.289079D+01  0.507891D+01
                 6             7             8             9            10 
      1  -0.258365D+01 -0.145581D+01  0.435589D+01 -0.569085D+01 -0.124132D+01
      2   0.161595D+01  0.595942D+01  0.430713D+01 -0.115602D+02  0.426750D+01
      3  -0.253811D+01  0.305985D+01  0.137207D+01 -0.448764D+01 -0.282132D+01
                11            12            13            14            15 
      1  -0.331571D+00 -0.146296D+00  0.199872D+01  0.353939D+01 -0.370572D+00
      2   0.201778D+01 -0.279939D+01  0.486190D+00 -0.787807D+01 -0.222172D+01
      3   0.579374D+00 -0.678153D+00  0.128524D+02  0.554532D+01  0.969769D+01
                16            17            18            19            20 
      1   0.420292D+01  0.315500D+01 -0.741264D+00 -0.185459D+00 -0.454895D+00
      2  -0.168329D+02 -0.541339D+01  0.278057D+01  0.555652D+01  0.225433D+01
      3   0.397522D+00  0.948220D+01  0.132888D+01  0.223433D+01  0.206976D+01
                21            22            23            24            25 
      1  -0.218985D+01 -0.249804D+00 -0.884026D-01 -0.132456D+01 -0.554123D+00
      2  -0.638602D+01  0.382831D+00  0.265404D+01 -0.418707D+01 -0.534386D+01
      3  -0.315435D+01  0.167919D+01  0.288351D+01 -0.274396D+01 -0.121269D+01
                26            27            28            29            30 
      1   0.948340D+00  0.499045D+01 -0.532222D+00 -0.231183D+00 -0.103258D+01
      2  -0.585611D+01  0.176397D+02  0.912303D+00  0.376280D+00  0.249250D+01
      3  -0.380642D+01  0.821289D+01 -0.334068D+01 -0.243349D+01 -0.530659D+00
                31            32            33            34            35 
      1  -0.484965D+00  0.594395D+00 -0.356115D+01 -0.933683D+00  0.423712D+00
      2  -0.202683D+00  0.411066D+01  0.454362D+01  0.745824D+00  0.292724D+01
      3   0.115601D+01 -0.120879D+02 -0.474264D+01  0.195807D+00 -0.485779D+01
                36            37            38            39            40 
      1  -0.224775D+01  0.280568D+01 -0.337877D+01 -0.353110D+00 -0.888883D-01
      2   0.366911D+01 -0.128666D+02 -0.467595D+01  0.110055D+02 -0.353495D+01
      3  -0.298450D+01  0.112508D+01 -0.970732D+01  0.175097D+01 -0.222867D+01
                41            42            43            44            45 
      1  -0.247649D+01 -0.103655D+02 -0.208939D+01 -0.480853D+01 -0.827446D-01
      2   0.144386D+02  0.358256D+00  0.664477D+01  0.243836D+01  0.142432D+01
      3  -0.216458D-01 -0.150012D+02 -0.541042D+00 -0.132668D+02 -0.152732D+00
                46            47            48            49            50 
      1  -0.756200D+00 -0.854097D-01  0.319510D+00 -0.110548D+01 -0.354172D+01
      2  -0.446428D+01 -0.899255D+00 -0.120825D+01 -0.184197D+01  0.721312D+00
      3   0.129238D+01  0.663706D+01  0.905580D+00  0.196324D+02  0.180367D+01
                51            52            53            54            55 
      1   0.809869D+00 -0.741141D+00  0.102283D+02  0.211087D+01 -0.997413D+00
      2   0.107210D+00 -0.147982D+02  0.449881D+00 -0.727112D+00  0.103642D+02
      3  -0.130263D+01  0.418805D+00 -0.293041D+00  0.502988D+00  0.275165D+01
                56            57            58            59            60 
      1  -0.186610D+01 -0.113699D+01 -0.165917D+01 -0.163719D+00 -0.206594D+00
      2   0.127398D+01  0.600922D+01  0.136269D+01 -0.387887D+00  0.900509D+00
      3  -0.547994D+01 -0.195560D+00 -0.229743D+01 -0.929788D+00  0.162521D+01
                61            62            63            64            65 
      1  -0.507374D+00  0.953154D+00 -0.291386D+00  0.172746D+01  0.135328D+01
      2   0.147802D+01  0.124231D+00  0.133767D+01 -0.164238D+01 -0.121022D+01
      3  -0.129176D+00  0.131708D+01  0.387509D+00  0.280392D+01  0.111003D+01
                66            67            68            69            70 
      1   0.124574D+00  0.489255D+00  0.789219D+01  0.315675D+01 -0.255843D+00
      2  -0.198293D+01 -0.153459D+01 -0.724588D+01 -0.745532D+01 -0.198473D+01
      3   0.150271D+00  0.206691D+01  0.107885D+02  0.708947D+01 -0.490065D+00
                71            72            73            74            75 
      1   0.547964D+01  0.370531D+01 -0.139075D+01  0.199652D+01  0.513354D+00
      2  -0.435970D+01 -0.793488D+01 -0.298654D+01  0.296858D+01 -0.336625D+01
      3   0.588732D+01  0.465429D+01 -0.367480D+01  0.364584D+01 -0.218505D+01
                76            77            78            79            80 
      1   0.103409D+01 -0.465797D+01  0.416902D+00  0.289042D+00  0.350466D+01
      2   0.296880D+01 -0.785519D+01  0.639114D+01 -0.323518D+01  0.489320D+01
      3   0.417042D+01 -0.104064D+02  0.705203D+01 -0.985055D+00  0.556307D+01
                81            82            83            84            85 
      1  -0.365185D+00 -0.248040D+00 -0.203847D+00  0.227347D+01 -0.958397D+00
      2  -0.743230D+01  0.207044D+01  0.380188D+00 -0.101423D+01  0.406024D+01
      3  -0.511041D+01 -0.660727D+00  0.130698D+00  0.670374D+00  0.116753D+01
                86            87            88            89            90 
      1   0.349587D+00 -0.222382D+01  0.760065D+01  0.333230D+01  0.756952D+00
      2   0.552885D+00  0.106005D+01 -0.124686D+02  0.243894D+00  0.976787D-01
      3  -0.721605D+01  0.764832D+00 -0.185996D+01 -0.813480D-01 -0.651450D+01
                91            92            93            94            95 
      1  -0.374651D-01  0.109908D+01 -0.194764D+01  0.140356D+01 -0.161673D+00
      2  -0.662632D+00  0.229898D+01  0.115080D+01  0.132781D+01 -0.278688D+01
      3   0.310826D+01 -0.131694D+02 -0.208848D+01  0.317289D+01 -0.351232D+00
                96            97            98            99           100 
      1  -0.227681D+01 -0.515079D+01  0.674224D+00 -0.112750D+01  0.366879D+00
      2   0.344010D+01 -0.808179D+01  0.870350D+01  0.407835D+01  0.381543D+00
      3   0.172791D+01 -0.151138D-01  0.308445D+01 -0.426140D+01 -0.269742D+01
               101           102           103           104           105 
      1  -0.768339D+00 -0.686265D+00 -0.111616D+01 -0.246433D+01  0.673157D+00
      2  -0.121777D+00  0.582588D+01 -0.459390D+01  0.450747D-03  0.647019D+00
      3  -0.634676D+01 -0.767757D-01  0.121883D+02 -0.158812D+01  0.101967D+01
               106           107           108           109           110 
      1  -0.202367D+01  0.114862D+02  0.270860D+01 -0.400421D+00 -0.597393D+00
      2   0.735556D+01  0.240964D+01  0.185143D+01 -0.100249D+01  0.173478D+01
      3   0.327016D+01  0.638588D+00 -0.105029D+01  0.410895D+01 -0.105116D+02
               111           112           113           114           115 
      1   0.218538D+01 -0.143598D+01 -0.293266D+00 -0.152996D+01  0.690146D+01
      2   0.266362D+01 -0.102616D+01  0.311484D+01 -0.390886D+01 -0.365956D+01
      3  -0.173220D+01  0.743229D+01  0.713131D+00 -0.183388D+01  0.231295D+00
               116           117           118           119           120 
      1   0.351499D+01  0.117981D+01  0.992938D-01  0.105905D+01 -0.140953D+01
      2  -0.102350D+02 -0.334676D+01  0.339163D+01  0.147259D+01 -0.538396D+00
      3  -0.318955D+01  0.444234D+01 -0.553449D+01 -0.359082D+01 -0.205023D+01
               121           122           123           124           125 
      1   0.113981D+01  0.839922D+00 -0.226176D+01 -0.535423D+01  0.120394D+01
      2   0.194238D+01 -0.597356D+00 -0.101908D+01 -0.137141D+02 -0.135212D+01
      3   0.238981D+01  0.660626D+01  0.654048D-02 -0.207033D+01 -0.117363D+01
               126           127           128           129           130 
      1  -0.560134D+00  0.214324D+00 -0.585451D+00  0.226707D+01  0.203741D+00
      2  -0.279028D+01  0.159912D+01 -0.735335D+00  0.670810D+00 -0.758553D+00
      3   0.529835D+01 -0.896916D+01  0.366837D+01  0.242774D+00  0.637115D+01
               131           132           133           134           135 
      1  -0.561381D-01 -0.304421D+01 -0.189685D+00  0.183457D+01 -0.131321D+00
      2   0.112470D+01 -0.108112D+01 -0.155347D+01  0.436960D+00 -0.291493D+00
      3  -0.514211D+01 -0.119632D+01 -0.256301D+00 -0.106900D+01 -0.160067D+00
               136           137           138           139           140 
      1  -0.174233D+00  0.635907D-01 -0.165339D+01 -0.153979D+00  0.514281D+00
      2   0.259574D+00  0.509654D+00  0.157958D+01  0.506174D+00  0.274075D+01
      3  -0.776169D+00 -0.239074D+01 -0.371922D+00 -0.145204D+01 -0.134653D+02
               141           142           143           144           145 
      1  -0.422670D+01  0.560533D+00  0.173284D+01 -0.676172D+00 -0.106767D+00
      2   0.327699D+01 -0.391939D+00  0.154634D+00  0.794479D+00  0.113137D+01
      3  -0.254947D+01 -0.385463D+00 -0.315171D+01 -0.702269D+00 -0.743872D+00
               146           147           148           149           150 
      1   0.364677D+00 -0.577108D+00  0.825689D-01  0.304726D-01 -0.382369D+00
      2  -0.433951D-01  0.611404D+01  0.143056D+01  0.344740D+00  0.848501D+00
      3  -0.522903D+01  0.800070D-01 -0.404906D+01 -0.132715D+01 -0.389332D+00
               151           152           153           154           155 
      1   0.326475D+00  0.455724D+00 -0.196732D-01  0.153954D+00 -0.537840D+00
      2  -0.226463D+01 -0.124988D+00  0.400334D+00 -0.929948D-02  0.152118D-01
      3  -0.941108D+00 -0.657745D+00 -0.200424D-01  0.146467D+01 -0.463069D+01
               156           157           158           159           160 
      1   0.219466D+01  0.267784D+00  0.203342D+00 -0.323900D+01 -0.793379D+00
      2   0.277817D+01  0.819334D+00 -0.145995D+01 -0.338947D+01 -0.610252D+00
      3  -0.225330D+00 -0.353918D+01  0.110104D+02  0.137751D+01 -0.951272D+00
               161           162           163           164           165 
      1   0.136754D+01 -0.343626D+00  0.134758D+00  0.233098D+00 -0.146933D+01
      2   0.367550D+00 -0.432830D+00 -0.152518D+01 -0.107041D+01  0.737544D-01
      3   0.210675D+01  0.330681D+00  0.601681D+01  0.368844D+01  0.115952D+01
               166           167           168           169           170 
      1   0.979422D-01  0.687805D+00 -0.396728D+01  0.555546D+00  0.205068D+01
      2  -0.146392D+01 -0.211792D+01  0.732918D-01 -0.177663D+01 -0.501421D+00
      3   0.671003D+01  0.849246D+01  0.229860D+01  0.226414D+01  0.209549D+01
               171 
      1  -0.598000D+00
      2   0.802449D-01
      3   0.285932D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.275111D+02 -0.180373D+01 -0.268267D+01 -0.901990D+01  0.279777D+01
      2  -0.158233D+02 -0.117579D+01 -0.635959D+01  0.369093D+01  0.798815D+01
      3  -0.116878D+02  0.297952D+01  0.904226D+01  0.532897D+01 -0.107859D+02
      4  -0.148970D+02  0.155270D+02 -0.744971D+01  0.200339D+02 -0.119889D+02
      5   0.125735D+02 -0.867793D+01  0.235955D+02 -0.120473D+02  0.897143D+01
      6  -0.492452D+01  0.446261D+01 -0.705117D+01  0.747643D+01 -0.392028D+01
                 6             7             8             9            10 
      1  -0.619217D+01 -0.114651D+01 -0.335241D+01  0.190054D+02  0.511961D+01
      2   0.253892D+01 -0.280205D+01 -0.258771D+01 -0.496546D+01  0.979628D+00
      3   0.365325D+01  0.394856D+01  0.594012D+01 -0.140399D+02 -0.609924D+01
      4   0.875302D+01 -0.610274D+01 -0.277356D+00 -0.593322D+00  0.351572D+01
      5  -0.379285D+01  0.200708D+02  0.836839D+00 -0.686081D+01  0.497260D+01
      6   0.567444D+01 -0.361716D+01  0.173345D+01  0.515449D+01  0.281991D+01
                11            12            13            14            15 
      1   0.175584D+01 -0.222921D+01  0.113938D+02  0.227623D+01  0.749700D+01
      2   0.387883D+00 -0.207184D+01 -0.836922D+01 -0.945500D+01 -0.131739D+02
      3  -0.214372D+01  0.430105D+01 -0.302455D+01  0.717878D+01  0.567689D+01
      4  -0.105979D+02  0.478979D+01 -0.179635D+02 -0.158774D+02 -0.196144D+02
      5   0.501199D+01 -0.162411D+02  0.142469D+02 -0.184345D+02 -0.839671D+00
      6  -0.906624D+00 -0.647215D-02 -0.757410D+01 -0.963187D+01 -0.682390D+01
                16            17            18            19            20 
      1   0.502262D+01  0.706022D+01 -0.740350D+01 -0.286990D+01 -0.369988D+01
      2  -0.106428D+02 -0.583343D+01  0.807414D+01  0.641859D+00  0.193766D+00
      3   0.562019D+01 -0.122679D+01 -0.670648D+00  0.222804D+01  0.350611D+01
      4   0.119461D+02 -0.145563D+02 -0.841636D+01  0.334601D+00 -0.237384D+01
      5  -0.324123D+02 -0.827959D+01  0.548596D+01  0.111022D+01  0.236401D+01
      6  -0.609201D+01 -0.791076D+01  0.939997D+00 -0.482962D+00 -0.264217D+01
                21            22            23            24            25 
      1   0.110129D+02 -0.156024D+01 -0.486847D+01  0.498071D+01  0.715450D+01
      2   0.630578D+00  0.132947D+00  0.193432D+01 -0.974848D+00 -0.323001D+01
      3  -0.116435D+02  0.142729D+01  0.293415D+01 -0.400587D+01 -0.392449D+01
      4   0.156713D+01  0.257161D+01 -0.472414D+01  0.389733D+01 -0.278564D+01
      5  -0.621042D+01 -0.765892D+00  0.378405D+01 -0.585156D+01  0.431519D+01
      6   0.500816D+01  0.870280D-01 -0.423457D+01  0.755344D+01  0.548582D+00
                26            27            28            29            30 
      1   0.652769D+01 -0.217734D+02  0.291481D+01  0.320138D+01  0.241591D+01
      2   0.589753D+00 -0.744679D+01  0.766610D+00 -0.301142D+00 -0.289117D+00
      3  -0.711744D+01  0.292202D+02 -0.368142D+01 -0.290024D+01 -0.212679D+01
      4   0.498602D+01 -0.692771D+01  0.882287D+01  0.102330D+02  0.341123D+01
      5  -0.817298D+01  0.248662D+02  0.382975D+01  0.343048D+01  0.711063D+01
      6   0.710250D+01 -0.131998D+02  0.411444D+01  0.189807D+01  0.153094D+01
                31            32            33            34            35 
      1   0.140366D+01 -0.987600D+01 -0.480326D+01  0.752634D+00 -0.527714D+01
      2   0.260971D+01  0.177883D+02  0.595504D+01  0.840264D+00  0.425365D+01
      3  -0.401337D+01 -0.791229D+01 -0.115178D+01 -0.159290D+01  0.102349D+01
      4   0.136303D+02  0.275561D+02  0.103201D+02  0.473725D+01  0.108524D+02
      5   0.381403D+01  0.998138D+01  0.101787D+02  0.882828D+01  0.864438D+01
      6   0.407872D+01  0.144397D+02  0.965937D+01  0.421486D+01  0.110985D+02
                36            37            38            39            40 
      1  -0.449702D+01 -0.597024D+02 -0.140093D+02  0.887159D+01 -0.129831D+02
      2   0.106990D+01  0.259126D+02  0.822211D+01 -0.473919D-01  0.711179D+01
      3   0.342713D+01  0.337898D+02  0.578717D+01 -0.882420D+01  0.587127D+01
      4   0.907890D+01 -0.186376D+02  0.837238D+01 -0.287096D+01  0.695447D+01
      5   0.889814D+01  0.129267D+02 -0.536651D+00  0.133897D+02 -0.274261D+01
      6   0.908704D+01  0.411236D+01 -0.701570D+01  0.346969D+01 -0.264916D+01
                41            42            43            44            45 
      1   0.187507D+02 -0.414073D+01 -0.490116D+01 -0.648717D+01  0.137969D+02
      2  -0.394880D+01  0.986204D+01  0.122313D+02  0.928813D+01 -0.136993D+02
      3  -0.148019D+02 -0.572131D+01 -0.733012D+01 -0.280096D+01 -0.976316D-01
      4   0.471100D+01  0.198613D+02 -0.821391D+01  0.154615D+02  0.800351D+01
      5   0.151630D+02  0.491312D+01  0.256903D+02  0.790784D+01 -0.110532D+02
      6   0.213897D+01 -0.135167D+02  0.701492D+01 -0.996226D+01 -0.263371D+01
                46            47            48            49            50 
      1  -0.155501D+02 -0.270382D+01 -0.296127D+01  0.250685D+01 -0.821671D+01
      2   0.168844D+01  0.188156D+01 -0.397515D+00 -0.431558D+01  0.134994D+02
      3   0.138616D+02  0.822264D+00  0.335878D+01  0.180873D+01 -0.528264D+01
      4   0.258576D+01  0.524791D+01 -0.144381D+01 -0.927817D+01 -0.104685D+01
      5  -0.691548D+01 -0.189026D+01  0.366767D+01 -0.429191D+01  0.115273D+01
      6  -0.470669D+01  0.928794D+00  0.364226D+00 -0.327674D+01  0.552064D+01
                51            52            53            54            55 
      1  -0.101722D+01 -0.704519D+01 -0.199825D+01 -0.829071D+01  0.890393D+02
      2   0.609381D+01 -0.415359D+00  0.445189D+01 -0.495697D+01 -0.451924D+02
      3  -0.507659D+01  0.746055D+01 -0.245364D+01  0.132477D+02 -0.438469D+02
      4   0.107088D+01 -0.503242D+01  0.208080D+01  0.138178D+01  0.216200D+02
      5   0.406716D+00  0.588288D+01  0.117345D+01 -0.951516D+00 -0.286008D+02
      6  -0.134615D+01  0.641377D+00  0.557223D+01 -0.307329D+01 -0.432747D+01
                56            57            58            59            60 
      1   0.919341D+01 -0.534959D+01  0.782845D+01  0.620874D+01  0.374696D+00
      2  -0.310505D+01  0.631652D+01 -0.209499D+01 -0.239352D+01 -0.330569D+00
      3  -0.608836D+01 -0.966928D+00 -0.573347D+01 -0.381522D+01 -0.441273D-01
      4   0.126207D+02 -0.211367D+01  0.148168D+02  0.524012D+01 -0.302263D+01
      5  -0.347205D+01  0.139257D+02 -0.303607D+01 -0.409407D+01  0.167590D+01
      6  -0.308678D+01  0.230664D+01 -0.272523D+01 -0.140524D+01  0.319861D+01
                61            62            63            64            65 
      1   0.694936D+01  0.148584D+01  0.520252D+01  0.413577D+01 -0.246608D+01
      2  -0.120302D+01 -0.616152D+00 -0.327061D+01 -0.233620D+01  0.118830D+01
      3  -0.574634D+01 -0.869687D+00 -0.193192D+01 -0.179957D+01  0.127778D+01
      4   0.235250D+01 -0.423015D+00  0.130431D+01 -0.163758D+01 -0.206873D+00
      5   0.788682D+01  0.555840D+00 -0.503050D+00 -0.193455D+01  0.184703D+01
      6   0.117231D+01  0.203584D+01  0.206399D-01  0.221608D+01  0.166107D+01
                66            67            68            69            70 
      1  -0.501197D+01 -0.587591D+01 -0.865986D+01 -0.541973D+01 -0.302334D+01
      2   0.215425D+00  0.432363D+01  0.153488D+01 -0.526351D+01  0.230391D+01
      3   0.479654D+01  0.155228D+01  0.712499D+01  0.106832D+02  0.719429D+00
      4   0.423728D+00  0.271396D+01 -0.183089D+02 -0.121438D+02  0.169535D+01
      5  -0.594308D+00  0.780325D+01 -0.101386D+02 -0.142814D+02  0.404541D+01
      6   0.787863D-01 -0.594389D+00  0.131595D+02  0.106733D+02 -0.860050D+00
                71            72            73            74            75 
      1  -0.431883D+01 -0.101514D+02 -0.217520D+00  0.860953D+01 -0.771064D+01
      2  -0.415039D+01 -0.541202D+01  0.714653D+00 -0.530077D+01  0.158014D+01
      3   0.846922D+01  0.155634D+02 -0.497133D+00 -0.330876D+01  0.613051D+01
      4  -0.100446D+02 -0.834866D+01  0.232061D+01 -0.203014D+01  0.118529D+01
      5  -0.707698D+01 -0.132539D+02 -0.315192D+00 -0.491501D+00 -0.222528D+01
      6   0.975119D+01  0.786429D+01 -0.369076D+01  0.556644D+01 -0.482314D+01
                76            77            78            79            80 
      1   0.815744D+01 -0.177295D+02  0.117266D+02 -0.343958D+01  0.981373D+01
      2  -0.462079D+01  0.139824D+02 -0.436207D+01  0.773629D+00 -0.272673D+01
      3  -0.353665D+01  0.374719D+01 -0.736457D+01  0.266595D+01 -0.708700D+01
      4   0.297391D+01  0.154560D+02 -0.108794D+02 -0.419443D+00 -0.826947D+01
      5  -0.436651D+01 -0.818832D+01  0.836428D+01  0.227638D+01  0.529385D+01
      6   0.958421D+00 -0.174509D+02  0.148451D+02 -0.146542D+01  0.129627D+02
                81            82            83            84            85 
      1  -0.146618D+02  0.572067D+00  0.148317D+02  0.388421D+01 -0.539176D+01
      2   0.896945D+00 -0.975931D+00 -0.108674D+02  0.168530D+00  0.148060D+02
      3   0.137648D+02  0.403864D+00 -0.396434D+01 -0.405274D+01 -0.941422D+01
      4   0.602274D+01  0.104533D+02 -0.124510D+02 -0.844010D+00  0.255172D+01
      5  -0.877620D+01  0.241872D+01 -0.140427D+01 -0.193103D+01  0.243156D+01
      6  -0.122249D+02  0.231448D+01 -0.137739D+01 -0.446672D+01  0.858988D+01
                86            87            88            89            90 
      1   0.165095D+01  0.449168D+01 -0.186191D+01  0.551959D+01 -0.137022D+02
      2  -0.515773D+01 -0.289833D+01  0.742691D+01 -0.752211D+01  0.279896D+01
      3   0.350678D+01 -0.159335D+01 -0.556501D+01  0.200252D+01  0.109032D+02
      4   0.137697D+02  0.303095D+01  0.311291D+01  0.124520D+01  0.294545D+01
      5   0.309266D+01 -0.123265D+01  0.262714D+01  0.163472D+01 -0.121941D+01
      6  -0.523427D+01  0.499115D+01 -0.387196D+01  0.115679D+02 -0.402986D+00
                91            92            93            94            95 
      1   0.828930D+01 -0.195897D+02 -0.228038D+01  0.219459D+02  0.118329D+02
      2  -0.919527D+01  0.126601D+02  0.353665D+00 -0.186080D+02 -0.155501D+02
      3   0.905973D+00  0.692955D+01  0.192671D+01 -0.333791D+01  0.371720D+01
      4  -0.137733D+02 -0.597354D+01 -0.346570D+01  0.951414D+01 -0.541942D+01
      5  -0.473098D+01 -0.229305D+01 -0.816193D+00  0.150909D+00 -0.636240D+01
      6  -0.464051D+01 -0.167634D+01  0.349115D+01 -0.465368D+01 -0.101589D+02
                96            97            98            99           100 
      1   0.378524D+01  0.443982D+01  0.749546D+00 -0.549280D+01 -0.138869D+02
      2  -0.590443D+01 -0.740127D+01 -0.860653D+01 -0.445928D+01  0.101523D+02
      3   0.211919D+01  0.296145D+01  0.785699D+01  0.995207D+01  0.373456D+01
      4  -0.602111D+01 -0.348913D+01 -0.989923D+01  0.137655D+02 -0.297862D+01
      5   0.715656D+01  0.117877D+02  0.143207D+02  0.851458D+01 -0.419776D+01
      6   0.357987D+01  0.609470D+01  0.137061D+02  0.339000D+01  0.142546D+01
               101           102           103           104           105 
      1  -0.399631D+01 -0.499681D+01  0.899865D+01 -0.202576D+02 -0.708398D+01
      2   0.320772D+01  0.240372D+01 -0.717641D+01  0.171736D+02  0.818404D+01
      3   0.788591D+00  0.259309D+01 -0.182224D+01  0.308406D+01 -0.110005D+01
      4   0.220749D+02  0.118954D+01 -0.169822D+02 -0.316092D+01 -0.307012D+01
      5   0.900888D+00  0.137714D+02 -0.112523D+02 -0.126948D+01  0.758343D+00
      6   0.770339D+00  0.174179D+01 -0.265316D+01  0.302897D+01 -0.135590D+01
               106           107           108           109           110 
      1  -0.423232D+01 -0.844692D+01  0.145687D+02 -0.123420D+01  0.221208D+02
      2  -0.173988D+00  0.612022D+01 -0.164131D+02 -0.360694D+01 -0.138098D+02
      3   0.440631D+01  0.232671D+01  0.184445D+01  0.484114D+01 -0.831105D+01
      4  -0.121503D+02 -0.127424D+01  0.249940D+01  0.153490D+02  0.139279D+01
      5   0.348063D+02  0.331031D+01  0.476693D+01  0.190711D+00  0.200131D+00
      6   0.174777D+01  0.443375D+01 -0.356993D+01 -0.190322D+00 -0.159354D+01
               111           112           113           114           115 
      1   0.443055D+01 -0.270385D+02  0.362291D+01 -0.138877D+00 -0.770431D+01
      2  -0.458553D+00  0.243591D+02 -0.749134D+01 -0.701253D+00  0.962203D+01
      3  -0.397199D+01  0.267936D+01  0.386843D+01  0.840130D+00 -0.191773D+01
      4   0.156461D+01 -0.528669D+00  0.114238D+02  0.845624D+01 -0.224178D+01
      5   0.542127D+01 -0.577640D+01  0.728182D+01 -0.786014D+01  0.184293D+02
      6  -0.571399D+01  0.652836D+01 -0.548088D+01  0.333336D+01 -0.723825D+01
               116           117           118           119           120 
      1   0.395925D+01  0.232140D+01  0.112776D+02 -0.901015D+01  0.441103D+00
      2  -0.715443D+01 -0.808621D+01 -0.652903D+01  0.709111D+01 -0.326683D+00
      3   0.319518D+01  0.576481D+01 -0.474853D+01  0.191904D+01 -0.114420D+00
      4   0.929207D+01 -0.149834D+02 -0.581432D+01 -0.179402D+02 -0.285532D+01
      5  -0.150773D+02 -0.744681D+01  0.965660D+00 -0.189779D+01 -0.430956D+01
      6   0.115628D+02 -0.917432D+00 -0.843673D+00 -0.152439D+01  0.369975D+01
               121           122           123           124           125 
      1   0.105528D+01  0.962188D+01  0.480240D+01  0.214765D+01  0.366394D+01
      2  -0.103304D+02 -0.130987D+02 -0.738532D+01 -0.465201D+01 -0.104174D+02
      3   0.927508D+01  0.347685D+01  0.258292D+01  0.250436D+01  0.675346D+01
      4   0.108475D+02 -0.135820D+02 -0.231904D+01 -0.102191D+01 -0.321489D+01
      5  -0.871812D+00 -0.270430D+01  0.154261D+00  0.387520D+01 -0.534049D+01
      6  -0.573997D+01 -0.103260D+02  0.271967D+01  0.163504D+01  0.133595D+02
               126           127           128           129           130 
      1  -0.150462D+02 -0.514384D+01  0.741435D+01  0.880477D+00  0.841600D+01
      2   0.103026D+01  0.690736D+01 -0.107272D+02 -0.102853D+01 -0.114126D+02
      3   0.140159D+02 -0.176352D+01  0.331281D+01  0.148055D+00  0.299663D+01
      4  -0.675533D+01 -0.885898D+01  0.880955D+01  0.110806D+01  0.811735D+01
      5  -0.380971D+01 -0.982093D+00  0.119056D+01  0.180411D+01  0.125619D+01
      6   0.427614D+01  0.902935D+00 -0.135320D+01 -0.230574D+01 -0.232134D+01
               131           132           133           134           135 
      1  -0.207996D+02 -0.335819D+01  0.152077D+01 -0.345707D+01 -0.766216D+00
      2   0.282217D+02  0.280430D+01 -0.198816D+01  0.407968D+01  0.143721D+01
      3  -0.742216D+01  0.553892D+00  0.467392D+00 -0.622609D+00 -0.670994D+00
      4  -0.925507D+01 -0.103106D+01  0.128592D+01 -0.120395D+01 -0.185594D+01
      5  -0.135085D+01 -0.124415D+01  0.935857D+00 -0.651711D+00 -0.885174D+00
      6   0.446830D+01  0.498036D+01 -0.835156D+00  0.221784D+01  0.140164D+01
               136           137           138           139           140 
      1   0.536719D+01  0.487621D+01  0.951009D+00 -0.119001D+01 -0.159124D+02
      2   0.337294D+01  0.507071D+01  0.346052D+00  0.116432D+02  0.376866D+02
      3  -0.874013D+01 -0.994692D+01 -0.129706D+01 -0.104532D+02 -0.217742D+02
      4   0.189313D+02  0.234501D+02  0.494197D+01  0.240800D+02  0.468899D+02
      5   0.432987D+01  0.493556D+01  0.463540D+01  0.514367D+01  0.919458D+01
      6   0.324903D+01  0.380724D+01  0.287971D+01  0.520143D+01  0.125438D+02
               141           142           143           144           145 
      1  -0.343756D+01  0.997283D-01 -0.298435D+01 -0.230137D+01  0.100198D+03
      2   0.535427D+01  0.190068D+01  0.679944D+01  0.293207D+01 -0.564862D+02
      3  -0.191671D+01 -0.200041D+01 -0.381509D+01 -0.630708D+00 -0.437121D+02
      4   0.933868D+01  0.568731D+01  0.106971D+02  0.400140D+01  0.132263D+02
      5   0.619346D+01  0.214617D+01  0.340837D+01  0.241398D+01  0.986482D+01
      6   0.884949D+01  0.239643D+01  0.557148D+01  0.342061D+01 -0.190418D+01
               146           147           148           149           150 
      1   0.887032D+01  0.631149D+01  0.711912D+01  0.993777D+01  0.168722D+01
      2  -0.439318D+01 -0.426769D+01 -0.305289D+01 -0.470671D+01 -0.135521D+01
      3  -0.447713D+01 -0.204381D+01 -0.406623D+01 -0.523106D+01 -0.332003D+00
      4   0.945894D+01  0.597695D+00  0.160233D+02  0.427600D+01  0.137778D+01
      5   0.621947D+00  0.104721D+02  0.326997D+01  0.152085D+01  0.138086D+01
      6   0.268826D+00  0.555235D+00  0.856941D+00 -0.150879D+00  0.157134D+01
               151           152           153           154           155 
      1   0.753758D+01  0.191944D+01  0.408850D+01  0.216012D+02 -0.139467D+02
      2  -0.430869D+01 -0.106252D+01 -0.276979D+01 -0.356974D+01 -0.109907D+01
      3  -0.322889D+01 -0.856921D+00 -0.131870D+01 -0.180315D+02  0.150458D+02
      4   0.372984D+01  0.144249D+01  0.882915D+00 -0.335563D+02  0.307516D+02
      5   0.445463D+01  0.579646D+00  0.163294D+01 -0.574099D+01  0.406827D+01
      6   0.258808D+00  0.760544D+00  0.308788D+00  0.212794D+01 -0.183871D+01
               156           157           158           159           160 
      1  -0.244525D+01 -0.866354D+01  0.317605D+01  0.729613D+00 -0.625934D+00
      2   0.844461D+00 -0.700327D+01  0.173413D+02  0.926688D+00 -0.122623D+01
      3   0.160079D+01  0.156668D+02 -0.205174D+02 -0.165630D+01  0.185217D+01
      4   0.397081D+01  0.338610D+02 -0.447612D+02 -0.677646D+01  0.545360D+01
      5   0.599215D+01  0.598374D+01 -0.703121D+01 -0.588764D+01  0.265054D+01
      6  -0.312312D+01 -0.380775D+01  0.520208D+01  0.582791D+01 -0.211122D+01
               161           162           163           164           165 
      1   0.668561D-01 -0.241759D+00 -0.533612D+01 -0.861904D+01 -0.255611D+01
      2   0.251467D+01  0.102953D+01  0.653594D+01  0.103616D+02  0.190014D+01
      3  -0.258152D+01 -0.787772D+00 -0.119981D+01 -0.174252D+01  0.655973D+00
      4  -0.692456D+01 -0.338786D+01  0.376604D+01  0.741872D+01  0.144896D+01
      5  -0.290075D+01 -0.163846D+01  0.966807D+00  0.124826D+01  0.155836D+01
      6   0.316946D+01  0.179694D+01  0.242844D+01  0.365146D+01  0.236429D+01
               166           167           168           169           170 
      1  -0.761673D+01 -0.327452D+02 -0.792057D+01 -0.213207D+01 -0.788106D+01
      2   0.933575D+01  0.430302D+02  0.750452D+01  0.245721D+01  0.914290D+01
      3  -0.171903D+01 -0.102850D+02  0.416051D+00 -0.325139D+00 -0.126184D+01
      4   0.512657D+01 -0.426069D+00 -0.496743D+00  0.145652D+01  0.300436D-01
      5   0.105054D+01 -0.568777D+00 -0.192205D+00  0.767495D+00  0.605560D+00
      6   0.294981D+01  0.126474D+02  0.860136D+01  0.113811D+01  0.505142D+01
               171 
      1  -0.333246D+01
      2   0.353316D+01
      3  -0.200698D+00
      4   0.138271D+01
      5   0.551078D+00
      6   0.351703D+01
 Leave Link  716 at Thu Aug 12 20:52:50 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129064D+03  0.771688D+00  0.731508D+00
      2   0.771688D+00  0.103784D+03  0.515564D+01
      3   0.731508D+00  0.515564D+01  0.730160D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.130897D+01  0.598070D+01  0.441525D+01
      2   0.246157D+01  0.134458D+02 -0.805560D+01
      3  -0.840712D+01 -0.415459D+02 -0.133169D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.955279D+02  0.407123D+01  0.654426D+01
      2  -0.309449D+02 -0.119738D+02 -0.151308D+02
      3  -0.645830D+02  0.790252D+01  0.858658D+01
      4  -0.137063D+02  0.819267D+02  0.309622D+02
      5   0.322329D+02  0.321975D+02 -0.240578D+02
      6   0.130916D+02  0.938490D+01 -0.613928D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.658808D+01  0.210803D+01 -0.132008D+01  0.413365D+01 -0.235306D+01
      2   0.210803D+01 -0.119873D+01  0.191758D+01 -0.235306D+01  0.124605D+01
      3  -0.132008D+01  0.191758D+01 -0.369493D+01  0.150078D+01 -0.131332D+01
                 6             7             8             9            10 
      1   0.150078D+01  0.657438D+00  0.939583D+00 -0.261710D+01  0.687331D+01
      2  -0.131332D+01  0.939583D+00  0.123088D+01 -0.843408D+00  0.371495D+00
      3  -0.322601D+00 -0.261710D+01 -0.843408D+00  0.410733D+01 -0.108532D+01
                11            12            13            14            15 
      1   0.371495D+00 -0.108532D+01 -0.317997D+00  0.308160D+01 -0.184883D+01
      2   0.662605D+00 -0.137120D+01  0.308160D+01  0.428079D+01  0.402007D+01
      3  -0.137120D+01  0.241284D+01 -0.184883D+01  0.402007D+01  0.985042D+00
                16            17            18            19            20 
      1  -0.465574D+01 -0.153878D+01  0.509758D+01  0.123380D+01  0.540953D-01
      2  -0.153878D+01  0.255155D+01  0.195842D+01  0.540953D-01  0.575404D+00
      3   0.509758D+01  0.195842D+01 -0.147390D+01 -0.448085D+00 -0.108019D+01
                21            22            23            24            25 
      1  -0.448085D+00  0.217706D+00 -0.287654D+00 -0.889527D-01 -0.188344D+01
      2  -0.108019D+01 -0.287654D+00  0.137721D+01 -0.128773D+01  0.129231D+00
      3   0.269907D+01 -0.889527D-01 -0.128773D+01  0.159534D+01 -0.496107D-01
                26            27            28            29            30 
      1   0.129231D+00 -0.496107D-01 -0.724705D+00 -0.146832D+01 -0.533879D+00
      2  -0.181447D+01  0.230390D+01 -0.146832D+01 -0.104541D+01 -0.364222D+00
      3   0.230390D+01 -0.761828D+01 -0.533879D+00 -0.364222D+00 -0.928952D+00
                31            32            33            34            35 
      1  -0.310969D+01 -0.213970D+01 -0.553244D+00 -0.605536D+00 -0.679551D+00
      2  -0.213970D+01 -0.615432D+01 -0.232894D+01 -0.679551D+00 -0.248539D+01
      3  -0.553244D+00 -0.232894D+01 -0.229515D+01 -0.134586D+01 -0.205655D+01
                36            37            38            39            40 
      1  -0.134586D+01  0.960896D+01  0.173828D+01  0.186747D-01  0.150472D+01
      2  -0.205655D+01  0.173828D+01 -0.182655D+01  0.100214D+01 -0.160267D+01
      3  -0.217466D+01  0.186747D-01  0.100214D+01 -0.286746D+01  0.126266D+01
                41            42            43            44            45 
      1  -0.160267D+01  0.126266D+01  0.631240D+01  0.157192D+01 -0.418777D+01
      2  -0.264693D+00 -0.455193D+01  0.157192D+01 -0.323714D+01 -0.116231D+01
      3  -0.455193D+01 -0.508646D+00 -0.418777D+01 -0.116231D+01  0.100193D+01
                46            47            48            49            50 
      1  -0.199146D+02 -0.200130D+01 -0.212366D-01 -0.359090D+01  0.131003D+01
      2  -0.200130D+01 -0.258728D+01  0.323889D+00  0.131003D+01 -0.526068D+00
      3  -0.212366D-01  0.323889D+00 -0.229585D+01  0.116830D+01 -0.269688D+00
                51            52            53            54            55 
      1   0.116830D+01 -0.920822D+00  0.119280D+01 -0.437815D+01 -0.147551D+02
      2  -0.269688D+00  0.119280D+01 -0.564481D+00 -0.541620D+00 -0.182444D+01
      3  -0.136873D+00 -0.437815D+01 -0.541620D+00 -0.647069D+00  0.173825D+01
                56            57            58            59            60 
      1  -0.182444D+01  0.173825D+01 -0.178588D+01 -0.157336D+01  0.217862D+00
      2  -0.116502D+01  0.221211D+00 -0.157336D+01 -0.597274D+00  0.598569D+00
      3   0.221211D+00 -0.152031D+01  0.217862D+00  0.598569D+00 -0.238118D+00
                61            62            63            64            65 
      1  -0.155006D+01 -0.289723D+00 -0.694207D+00 -0.314135D+00  0.641818D+00
      2  -0.289723D+00  0.788535D-01 -0.681252D-01  0.641818D+00  0.393056D+00
      3  -0.694207D+00 -0.681252D-01 -0.175031D+00  0.229410D+00  0.462321D-01
                66            67            68            69            70 
      1   0.229410D+00  0.186605D+01 -0.151959D+00 -0.841002D+00  0.604807D+00
      2   0.462321D-01 -0.151959D+00  0.366177D+01  0.247851D+01 -0.313198D+00
      3   0.913336D+00 -0.841002D+00  0.247851D+01  0.317096D+01 -0.124831D+00
                71            72            73            74            75 
      1  -0.313198D+00 -0.124831D+00 -0.123744D+00 -0.971020D+00  0.557393D+00
      2   0.202295D+01  0.166020D+01 -0.971020D+00  0.121422D+01 -0.851662D+00
      3   0.166020D+01  0.334545D+01  0.557393D+00 -0.851662D+00  0.156960D+01
                76            77            78            79            80 
      1  -0.144128D+01  0.266244D+00 -0.476379D-01  0.324338D+00 -0.233803D+00
      2   0.266244D+00 -0.412693D+01  0.274908D+01 -0.233803D+00  0.209302D+01
      3  -0.476379D-01  0.274908D+01 -0.256896D+01  0.337645D+00 -0.180540D+01
                81            82            83            84            85 
      1   0.337645D+00  0.457843D+01 -0.698231D+00  0.336179D+00  0.900694D+01
      2  -0.180540D+01 -0.698231D+00 -0.316915D+01 -0.665604D+00  0.939026D-01
      3   0.296528D+01  0.336179D+00 -0.665604D+00 -0.142924D+01  0.534171D+00
                86            87            88            89            90 
      1   0.939026D-01  0.534171D+00  0.292860D+01 -0.124236D+00 -0.177239D+01
      2   0.147048D+01 -0.893280D+00 -0.124236D+00 -0.151825D+01  0.311729D+01
      3  -0.893280D+00  0.174881D+01 -0.177239D+01  0.311729D+01  0.118247D+01
                91            92            93            94            95 
      1  -0.478458D+01 -0.625299D+00 -0.294494D+00  0.524032D+01  0.802300D-01
      2  -0.625299D+00  0.224446D+01 -0.244601D+00  0.802300D-01  0.992706D+00
      3  -0.294494D+00 -0.244601D+00  0.785978D+00 -0.292672D+00 -0.100768D+01
                96            97            98            99           100 
      1  -0.292672D+00  0.506180D+00 -0.756725D+00  0.191300D+01  0.590032D+01
      2  -0.100768D+01 -0.756725D+00 -0.129419D+01  0.365519D+01  0.347421D+00
      3   0.143828D+01  0.191300D+01  0.365519D+01  0.237354D+01 -0.392328D+00
               101           102           103           104           105 
      1   0.347421D+00 -0.392328D+00  0.886327D+00 -0.315553D+00 -0.111578D+01
      2   0.321816D+01  0.195599D+00 -0.315553D+00  0.262990D+00 -0.461657D+00
      3   0.195599D+00  0.223375D+01 -0.111578D+01 -0.461657D+00  0.164809D+00
               106           107           108           109           110 
      1  -0.216897D-01 -0.116768D+01  0.533643D+01 -0.322886D+01 -0.683956D+00
      2  -0.116768D+01  0.640004D-01  0.487421D+00 -0.683956D+00  0.253172D+01
      3   0.533643D+01  0.487421D+00  0.880932D+00 -0.494466D+00  0.767963D+00
               111           112           113           114           115 
      1  -0.494466D+00 -0.583197D+01 -0.100614D+01 -0.107003D+01 -0.189539D+01
      2   0.767963D+00 -0.100614D+01 -0.825989D+00  0.110273D+01 -0.678979D+00
      3   0.137615D+01 -0.107003D+01  0.110273D+01 -0.146736D+01  0.281072D+01
               116           117           118           119           120 
      1  -0.678979D+00  0.281072D+01  0.652047D+01  0.245025D+01  0.900885D+00
      2   0.168037D+01 -0.310834D+01  0.245025D+01 -0.222761D+01 -0.193388D+00
      3  -0.310834D+01 -0.122944D+01  0.900885D+00 -0.193388D+00 -0.513695D+00
               121           122           123           124           125 
      1  -0.734507D+01 -0.531082D+00  0.147199D+00 -0.686836D+00  0.105078D+01
      2  -0.531082D+00 -0.161885D+01  0.117641D+01  0.105078D+01  0.122313D+01
      3   0.147199D+00  0.117641D+01 -0.165570D+01 -0.980215D+00 -0.350847D+01
               126           127           128           129           130 
      1  -0.980215D+00 -0.327014D+01  0.230443D+01  0.240937D+00  0.241300D+01
      2  -0.350847D+01  0.230443D+01 -0.276885D+01 -0.313940D+00 -0.286160D+01
      3  -0.267008D+01  0.240937D+00 -0.313940D+00 -0.441567D+00 -0.522689D+00
               131           132           133           134           135 
      1  -0.286160D+01 -0.522689D+00  0.245162D+00 -0.463995D+00 -0.789630D-02
      2   0.597916D+01  0.828473D+00 -0.463995D+00  0.104099D+01  0.206894D+00
      3   0.828473D+00  0.826651D+00 -0.789630D-02  0.206894D+00  0.196862D+00
               136           137           138           139           140 
      1   0.231062D+01  0.266321D+01  0.655033D+00  0.235111D+01  0.381729D+01
      2   0.266321D+01  0.286949D+01  0.660191D+00  0.381729D+01  0.943369D+01
      3   0.655033D+00  0.660191D+00  0.488684D+00  0.850721D+00  0.194569D+01
               141           142           143           144           145 
      1   0.850721D+00  0.683173D+00  0.959365D+00  0.280624D+00  0.132720D+02
      2   0.194569D+01  0.959365D+00  0.209093D+01  0.576303D+00  0.126286D+01
      3   0.128028D+01  0.280624D+00  0.576303D+00  0.364049D+00  0.979117D+00
               146           147           148           149           150 
      1   0.126286D+01  0.979117D+00  0.115946D+01  0.169603D+01  0.396239D+00
      2   0.899776D+00  0.750357D-01  0.169603D+01  0.470708D+00  0.152205D+00
      3   0.750357D-01  0.971681D+00  0.396239D+00  0.152205D+00  0.152032D+00
               151           152           153           154           155 
      1   0.104034D+01  0.388925D+00  0.211073D+00  0.499010D+01 -0.391865D+01
      2   0.388925D+00  0.118364D+00  0.398826D-01 -0.391865D+01  0.358389D+01
      3   0.211073D+00  0.398826D-01  0.161085D+00 -0.592911D+00  0.453419D+00
               156           157           158           159           160 
      1  -0.592911D+00 -0.377249D+01  0.450102D+01  0.800874D+00 -0.605109D+00
      2   0.453419D+00  0.450102D+01 -0.668345D+01 -0.104256D+01  0.690453D+00
      3   0.609106D+00  0.800874D+00 -0.104256D+01 -0.911074D+00  0.237512D+00
               161           162           163           164           165 
      1   0.690453D+00  0.237512D+00 -0.158409D+01 -0.175067D+01 -0.473075D+00
      2  -0.124681D+01 -0.302239D+00 -0.175067D+01 -0.220418D+01 -0.578463D+00
      3  -0.302239D+00 -0.207848D+00 -0.473075D+00 -0.578463D+00 -0.368191D+00
               166           167           168           169           170 
      1  -0.158401D+01 -0.202358D+01 -0.497972D+00 -0.477821D+00 -0.676383D+00
      2  -0.202358D+01 -0.837797D+01 -0.189494D+01 -0.676383D+00 -0.203432D+01
      3  -0.497972D+00 -0.189494D+01 -0.125774D+01 -0.665474D-01 -0.609046D+00
               171 
      1  -0.665474D-01
      2  -0.609046D+00
      3  -0.382620D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.567941D+00  0.287149D+01  0.272408D+01  0.169866D+00 -0.332550D+01
      2  -0.440934D+01 -0.396819D+01  0.134389D+02 -0.330299D+00  0.526164D+00
      3   0.392512D+01 -0.993296D+01  0.575284D+01 -0.289079D+01  0.507891D+01
                 6             7             8             9            10 
      1  -0.258365D+01 -0.145581D+01  0.435589D+01 -0.569085D+01 -0.124132D+01
      2   0.161595D+01  0.595942D+01  0.430713D+01 -0.115602D+02  0.426750D+01
      3  -0.253811D+01  0.305985D+01  0.137207D+01 -0.448764D+01 -0.282132D+01
                11            12            13            14            15 
      1  -0.331571D+00 -0.146296D+00  0.199872D+01  0.353939D+01 -0.370572D+00
      2   0.201778D+01 -0.279939D+01  0.486190D+00 -0.787807D+01 -0.222172D+01
      3   0.579374D+00 -0.678153D+00  0.128524D+02  0.554532D+01  0.969769D+01
                16            17            18            19            20 
      1   0.420292D+01  0.315500D+01 -0.741264D+00 -0.185459D+00 -0.454895D+00
      2  -0.168329D+02 -0.541339D+01  0.278057D+01  0.555652D+01  0.225433D+01
      3   0.397522D+00  0.948220D+01  0.132888D+01  0.223433D+01  0.206976D+01
                21            22            23            24            25 
      1  -0.218985D+01 -0.249804D+00 -0.884026D-01 -0.132456D+01 -0.554123D+00
      2  -0.638602D+01  0.382831D+00  0.265404D+01 -0.418707D+01 -0.534386D+01
      3  -0.315435D+01  0.167919D+01  0.288351D+01 -0.274396D+01 -0.121269D+01
                26            27            28            29            30 
      1   0.948340D+00  0.499045D+01 -0.532222D+00 -0.231183D+00 -0.103258D+01
      2  -0.585611D+01  0.176397D+02  0.912303D+00  0.376280D+00  0.249250D+01
      3  -0.380642D+01  0.821289D+01 -0.334068D+01 -0.243349D+01 -0.530659D+00
                31            32            33            34            35 
      1  -0.484965D+00  0.594395D+00 -0.356115D+01 -0.933683D+00  0.423712D+00
      2  -0.202683D+00  0.411066D+01  0.454362D+01  0.745824D+00  0.292724D+01
      3   0.115601D+01 -0.120879D+02 -0.474264D+01  0.195807D+00 -0.485779D+01
                36            37            38            39            40 
      1  -0.224775D+01  0.280568D+01 -0.337877D+01 -0.353110D+00 -0.888883D-01
      2   0.366911D+01 -0.128666D+02 -0.467595D+01  0.110055D+02 -0.353495D+01
      3  -0.298450D+01  0.112508D+01 -0.970732D+01  0.175097D+01 -0.222867D+01
                41            42            43            44            45 
      1  -0.247649D+01 -0.103655D+02 -0.208939D+01 -0.480853D+01 -0.827446D-01
      2   0.144386D+02  0.358256D+00  0.664477D+01  0.243836D+01  0.142432D+01
      3  -0.216458D-01 -0.150012D+02 -0.541042D+00 -0.132668D+02 -0.152732D+00
                46            47            48            49            50 
      1  -0.756200D+00 -0.854097D-01  0.319510D+00 -0.110548D+01 -0.354172D+01
      2  -0.446428D+01 -0.899255D+00 -0.120825D+01 -0.184197D+01  0.721312D+00
      3   0.129238D+01  0.663706D+01  0.905580D+00  0.196324D+02  0.180367D+01
                51            52            53            54            55 
      1   0.809869D+00 -0.741141D+00  0.102283D+02  0.211087D+01 -0.997413D+00
      2   0.107210D+00 -0.147982D+02  0.449881D+00 -0.727112D+00  0.103642D+02
      3  -0.130263D+01  0.418805D+00 -0.293041D+00  0.502988D+00  0.275165D+01
                56            57            58            59            60 
      1  -0.186610D+01 -0.113699D+01 -0.165917D+01 -0.163719D+00 -0.206594D+00
      2   0.127398D+01  0.600922D+01  0.136269D+01 -0.387887D+00  0.900509D+00
      3  -0.547994D+01 -0.195560D+00 -0.229743D+01 -0.929788D+00  0.162521D+01
                61            62            63            64            65 
      1  -0.507374D+00  0.953154D+00 -0.291386D+00  0.172746D+01  0.135328D+01
      2   0.147802D+01  0.124231D+00  0.133767D+01 -0.164238D+01 -0.121022D+01
      3  -0.129176D+00  0.131708D+01  0.387509D+00  0.280392D+01  0.111003D+01
                66            67            68            69            70 
      1   0.124574D+00  0.489255D+00  0.789219D+01  0.315675D+01 -0.255843D+00
      2  -0.198293D+01 -0.153459D+01 -0.724588D+01 -0.745532D+01 -0.198473D+01
      3   0.150271D+00  0.206691D+01  0.107885D+02  0.708947D+01 -0.490065D+00
                71            72            73            74            75 
      1   0.547964D+01  0.370531D+01 -0.139075D+01  0.199652D+01  0.513354D+00
      2  -0.435970D+01 -0.793488D+01 -0.298654D+01  0.296858D+01 -0.336625D+01
      3   0.588732D+01  0.465429D+01 -0.367480D+01  0.364584D+01 -0.218505D+01
                76            77            78            79            80 
      1   0.103409D+01 -0.465797D+01  0.416902D+00  0.289042D+00  0.350466D+01
      2   0.296880D+01 -0.785519D+01  0.639114D+01 -0.323518D+01  0.489320D+01
      3   0.417042D+01 -0.104064D+02  0.705203D+01 -0.985055D+00  0.556307D+01
                81            82            83            84            85 
      1  -0.365185D+00 -0.248040D+00 -0.203847D+00  0.227347D+01 -0.958397D+00
      2  -0.743230D+01  0.207044D+01  0.380188D+00 -0.101423D+01  0.406024D+01
      3  -0.511041D+01 -0.660727D+00  0.130698D+00  0.670374D+00  0.116753D+01
                86            87            88            89            90 
      1   0.349587D+00 -0.222382D+01  0.760065D+01  0.333230D+01  0.756952D+00
      2   0.552885D+00  0.106005D+01 -0.124686D+02  0.243894D+00  0.976787D-01
      3  -0.721605D+01  0.764832D+00 -0.185996D+01 -0.813480D-01 -0.651450D+01
                91            92            93            94            95 
      1  -0.374651D-01  0.109908D+01 -0.194764D+01  0.140356D+01 -0.161673D+00
      2  -0.662632D+00  0.229898D+01  0.115080D+01  0.132781D+01 -0.278688D+01
      3   0.310826D+01 -0.131694D+02 -0.208848D+01  0.317289D+01 -0.351232D+00
                96            97            98            99           100 
      1  -0.227681D+01 -0.515079D+01  0.674224D+00 -0.112750D+01  0.366879D+00
      2   0.344010D+01 -0.808179D+01  0.870350D+01  0.407835D+01  0.381543D+00
      3   0.172791D+01 -0.151138D-01  0.308445D+01 -0.426140D+01 -0.269742D+01
               101           102           103           104           105 
      1  -0.768339D+00 -0.686265D+00 -0.111616D+01 -0.246433D+01  0.673157D+00
      2  -0.121777D+00  0.582588D+01 -0.459390D+01  0.450747D-03  0.647019D+00
      3  -0.634676D+01 -0.767757D-01  0.121883D+02 -0.158812D+01  0.101967D+01
               106           107           108           109           110 
      1  -0.202367D+01  0.114862D+02  0.270860D+01 -0.400421D+00 -0.597393D+00
      2   0.735556D+01  0.240964D+01  0.185143D+01 -0.100249D+01  0.173478D+01
      3   0.327016D+01  0.638588D+00 -0.105029D+01  0.410895D+01 -0.105116D+02
               111           112           113           114           115 
      1   0.218538D+01 -0.143598D+01 -0.293266D+00 -0.152996D+01  0.690146D+01
      2   0.266362D+01 -0.102616D+01  0.311484D+01 -0.390886D+01 -0.365956D+01
      3  -0.173220D+01  0.743229D+01  0.713131D+00 -0.183388D+01  0.231295D+00
               116           117           118           119           120 
      1   0.351499D+01  0.117981D+01  0.992938D-01  0.105905D+01 -0.140953D+01
      2  -0.102350D+02 -0.334676D+01  0.339163D+01  0.147259D+01 -0.538396D+00
      3  -0.318955D+01  0.444234D+01 -0.553449D+01 -0.359082D+01 -0.205023D+01
               121           122           123           124           125 
      1   0.113981D+01  0.839922D+00 -0.226176D+01 -0.535423D+01  0.120394D+01
      2   0.194238D+01 -0.597356D+00 -0.101908D+01 -0.137141D+02 -0.135212D+01
      3   0.238981D+01  0.660626D+01  0.654048D-02 -0.207033D+01 -0.117363D+01
               126           127           128           129           130 
      1  -0.560134D+00  0.214324D+00 -0.585451D+00  0.226707D+01  0.203741D+00
      2  -0.279028D+01  0.159912D+01 -0.735335D+00  0.670810D+00 -0.758553D+00
      3   0.529835D+01 -0.896916D+01  0.366837D+01  0.242774D+00  0.637115D+01
               131           132           133           134           135 
      1  -0.561381D-01 -0.304421D+01 -0.189685D+00  0.183457D+01 -0.131321D+00
      2   0.112470D+01 -0.108112D+01 -0.155347D+01  0.436960D+00 -0.291493D+00
      3  -0.514211D+01 -0.119632D+01 -0.256301D+00 -0.106900D+01 -0.160067D+00
               136           137           138           139           140 
      1  -0.174233D+00  0.635907D-01 -0.165339D+01 -0.153979D+00  0.514281D+00
      2   0.259574D+00  0.509654D+00  0.157958D+01  0.506174D+00  0.274075D+01
      3  -0.776169D+00 -0.239074D+01 -0.371922D+00 -0.145204D+01 -0.134653D+02
               141           142           143           144           145 
      1  -0.422670D+01  0.560533D+00  0.173284D+01 -0.676172D+00 -0.106767D+00
      2   0.327699D+01 -0.391939D+00  0.154634D+00  0.794479D+00  0.113137D+01
      3  -0.254947D+01 -0.385463D+00 -0.315171D+01 -0.702269D+00 -0.743872D+00
               146           147           148           149           150 
      1   0.364677D+00 -0.577108D+00  0.825689D-01  0.304726D-01 -0.382369D+00
      2  -0.433951D-01  0.611404D+01  0.143056D+01  0.344740D+00  0.848501D+00
      3  -0.522903D+01  0.800070D-01 -0.404906D+01 -0.132715D+01 -0.389332D+00
               151           152           153           154           155 
      1   0.326475D+00  0.455724D+00 -0.196732D-01  0.153954D+00 -0.537840D+00
      2  -0.226463D+01 -0.124988D+00  0.400334D+00 -0.929948D-02  0.152118D-01
      3  -0.941108D+00 -0.657745D+00 -0.200424D-01  0.146467D+01 -0.463069D+01
               156           157           158           159           160 
      1   0.219466D+01  0.267784D+00  0.203342D+00 -0.323900D+01 -0.793379D+00
      2   0.277817D+01  0.819334D+00 -0.145995D+01 -0.338947D+01 -0.610252D+00
      3  -0.225330D+00 -0.353918D+01  0.110104D+02  0.137751D+01 -0.951272D+00
               161           162           163           164           165 
      1   0.136754D+01 -0.343626D+00  0.134758D+00  0.233098D+00 -0.146933D+01
      2   0.367550D+00 -0.432830D+00 -0.152518D+01 -0.107041D+01  0.737544D-01
      3   0.210675D+01  0.330681D+00  0.601681D+01  0.368844D+01  0.115952D+01
               166           167           168           169           170 
      1   0.979422D-01  0.687805D+00 -0.396728D+01  0.555546D+00  0.205068D+01
      2  -0.146392D+01 -0.211792D+01  0.732918D-01 -0.177663D+01 -0.501421D+00
      3   0.671003D+01  0.849246D+01  0.229860D+01  0.226414D+01  0.209549D+01
               171 
      1  -0.598000D+00
      2   0.802449D-01
      3   0.285932D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.275111D+02 -0.180373D+01 -0.268267D+01 -0.901990D+01  0.279777D+01
      2  -0.158233D+02 -0.117579D+01 -0.635959D+01  0.369093D+01  0.798815D+01
      3  -0.116878D+02  0.297952D+01  0.904226D+01  0.532897D+01 -0.107859D+02
      4  -0.148970D+02  0.155270D+02 -0.744971D+01  0.200339D+02 -0.119889D+02
      5   0.125735D+02 -0.867793D+01  0.235955D+02 -0.120473D+02  0.897143D+01
      6  -0.492452D+01  0.446261D+01 -0.705117D+01  0.747643D+01 -0.392028D+01
                 6             7             8             9            10 
      1  -0.619217D+01 -0.114651D+01 -0.335241D+01  0.190054D+02  0.511961D+01
      2   0.253892D+01 -0.280205D+01 -0.258771D+01 -0.496546D+01  0.979628D+00
      3   0.365325D+01  0.394856D+01  0.594012D+01 -0.140399D+02 -0.609924D+01
      4   0.875302D+01 -0.610274D+01 -0.277356D+00 -0.593322D+00  0.351572D+01
      5  -0.379285D+01  0.200708D+02  0.836839D+00 -0.686081D+01  0.497260D+01
      6   0.567444D+01 -0.361716D+01  0.173345D+01  0.515449D+01  0.281991D+01
                11            12            13            14            15 
      1   0.175584D+01 -0.222921D+01  0.113938D+02  0.227623D+01  0.749700D+01
      2   0.387883D+00 -0.207184D+01 -0.836922D+01 -0.945500D+01 -0.131739D+02
      3  -0.214372D+01  0.430105D+01 -0.302455D+01  0.717878D+01  0.567689D+01
      4  -0.105979D+02  0.478979D+01 -0.179635D+02 -0.158774D+02 -0.196144D+02
      5   0.501199D+01 -0.162411D+02  0.142469D+02 -0.184345D+02 -0.839671D+00
      6  -0.906624D+00 -0.647215D-02 -0.757410D+01 -0.963187D+01 -0.682390D+01
                16            17            18            19            20 
      1   0.502262D+01  0.706022D+01 -0.740350D+01 -0.286990D+01 -0.369988D+01
      2  -0.106428D+02 -0.583343D+01  0.807414D+01  0.641859D+00  0.193766D+00
      3   0.562019D+01 -0.122679D+01 -0.670648D+00  0.222804D+01  0.350611D+01
      4   0.119461D+02 -0.145563D+02 -0.841636D+01  0.334601D+00 -0.237384D+01
      5  -0.324123D+02 -0.827959D+01  0.548596D+01  0.111022D+01  0.236401D+01
      6  -0.609201D+01 -0.791076D+01  0.939997D+00 -0.482962D+00 -0.264217D+01
                21            22            23            24            25 
      1   0.110129D+02 -0.156024D+01 -0.486847D+01  0.498071D+01  0.715450D+01
      2   0.630578D+00  0.132947D+00  0.193432D+01 -0.974848D+00 -0.323001D+01
      3  -0.116435D+02  0.142729D+01  0.293415D+01 -0.400587D+01 -0.392449D+01
      4   0.156713D+01  0.257161D+01 -0.472414D+01  0.389733D+01 -0.278564D+01
      5  -0.621042D+01 -0.765892D+00  0.378405D+01 -0.585156D+01  0.431519D+01
      6   0.500816D+01  0.870280D-01 -0.423457D+01  0.755344D+01  0.548582D+00
                26            27            28            29            30 
      1   0.652769D+01 -0.217734D+02  0.291481D+01  0.320138D+01  0.241591D+01
      2   0.589753D+00 -0.744679D+01  0.766610D+00 -0.301142D+00 -0.289117D+00
      3  -0.711744D+01  0.292202D+02 -0.368142D+01 -0.290024D+01 -0.212679D+01
      4   0.498602D+01 -0.692771D+01  0.882287D+01  0.102330D+02  0.341123D+01
      5  -0.817298D+01  0.248662D+02  0.382975D+01  0.343048D+01  0.711063D+01
      6   0.710250D+01 -0.131998D+02  0.411444D+01  0.189807D+01  0.153094D+01
                31            32            33            34            35 
      1   0.140366D+01 -0.987600D+01 -0.480326D+01  0.752634D+00 -0.527714D+01
      2   0.260971D+01  0.177883D+02  0.595504D+01  0.840264D+00  0.425365D+01
      3  -0.401337D+01 -0.791229D+01 -0.115178D+01 -0.159290D+01  0.102349D+01
      4   0.136303D+02  0.275561D+02  0.103201D+02  0.473725D+01  0.108524D+02
      5   0.381403D+01  0.998138D+01  0.101787D+02  0.882828D+01  0.864438D+01
      6   0.407872D+01  0.144397D+02  0.965937D+01  0.421486D+01  0.110985D+02
                36            37            38            39            40 
      1  -0.449702D+01 -0.597024D+02 -0.140093D+02  0.887159D+01 -0.129831D+02
      2   0.106990D+01  0.259126D+02  0.822211D+01 -0.473919D-01  0.711179D+01
      3   0.342713D+01  0.337898D+02  0.578717D+01 -0.882420D+01  0.587127D+01
      4   0.907890D+01 -0.186376D+02  0.837238D+01 -0.287096D+01  0.695447D+01
      5   0.889814D+01  0.129267D+02 -0.536651D+00  0.133897D+02 -0.274261D+01
      6   0.908704D+01  0.411236D+01 -0.701570D+01  0.346969D+01 -0.264916D+01
                41            42            43            44            45 
      1   0.187507D+02 -0.414073D+01 -0.490116D+01 -0.648717D+01  0.137969D+02
      2  -0.394880D+01  0.986204D+01  0.122313D+02  0.928813D+01 -0.136993D+02
      3  -0.148019D+02 -0.572131D+01 -0.733012D+01 -0.280096D+01 -0.976316D-01
      4   0.471100D+01  0.198613D+02 -0.821391D+01  0.154615D+02  0.800351D+01
      5   0.151630D+02  0.491312D+01  0.256903D+02  0.790784D+01 -0.110532D+02
      6   0.213897D+01 -0.135167D+02  0.701492D+01 -0.996226D+01 -0.263371D+01
                46            47            48            49            50 
      1  -0.155501D+02 -0.270382D+01 -0.296127D+01  0.250685D+01 -0.821671D+01
      2   0.168844D+01  0.188156D+01 -0.397515D+00 -0.431558D+01  0.134994D+02
      3   0.138616D+02  0.822264D+00  0.335878D+01  0.180873D+01 -0.528264D+01
      4   0.258576D+01  0.524791D+01 -0.144381D+01 -0.927817D+01 -0.104685D+01
      5  -0.691548D+01 -0.189026D+01  0.366767D+01 -0.429191D+01  0.115273D+01
      6  -0.470669D+01  0.928794D+00  0.364226D+00 -0.327674D+01  0.552064D+01
                51            52            53            54            55 
      1  -0.101722D+01 -0.704519D+01 -0.199825D+01 -0.829071D+01  0.890393D+02
      2   0.609381D+01 -0.415359D+00  0.445189D+01 -0.495697D+01 -0.451924D+02
      3  -0.507659D+01  0.746055D+01 -0.245364D+01  0.132477D+02 -0.438469D+02
      4   0.107088D+01 -0.503242D+01  0.208080D+01  0.138178D+01  0.216200D+02
      5   0.406716D+00  0.588288D+01  0.117345D+01 -0.951516D+00 -0.286008D+02
      6  -0.134615D+01  0.641377D+00  0.557223D+01 -0.307329D+01 -0.432747D+01
                56            57            58            59            60 
      1   0.919341D+01 -0.534959D+01  0.782845D+01  0.620874D+01  0.374696D+00
      2  -0.310505D+01  0.631652D+01 -0.209499D+01 -0.239352D+01 -0.330569D+00
      3  -0.608836D+01 -0.966928D+00 -0.573347D+01 -0.381522D+01 -0.441273D-01
      4   0.126207D+02 -0.211367D+01  0.148168D+02  0.524012D+01 -0.302263D+01
      5  -0.347205D+01  0.139257D+02 -0.303607D+01 -0.409407D+01  0.167590D+01
      6  -0.308678D+01  0.230664D+01 -0.272523D+01 -0.140524D+01  0.319861D+01
                61            62            63            64            65 
      1   0.694936D+01  0.148584D+01  0.520252D+01  0.413577D+01 -0.246608D+01
      2  -0.120302D+01 -0.616152D+00 -0.327061D+01 -0.233620D+01  0.118830D+01
      3  -0.574634D+01 -0.869687D+00 -0.193192D+01 -0.179957D+01  0.127778D+01
      4   0.235250D+01 -0.423015D+00  0.130431D+01 -0.163758D+01 -0.206873D+00
      5   0.788682D+01  0.555840D+00 -0.503050D+00 -0.193455D+01  0.184703D+01
      6   0.117231D+01  0.203584D+01  0.206399D-01  0.221608D+01  0.166107D+01
                66            67            68            69            70 
      1  -0.501197D+01 -0.587591D+01 -0.865986D+01 -0.541973D+01 -0.302334D+01
      2   0.215425D+00  0.432363D+01  0.153488D+01 -0.526351D+01  0.230391D+01
      3   0.479654D+01  0.155228D+01  0.712499D+01  0.106832D+02  0.719429D+00
      4   0.423728D+00  0.271396D+01 -0.183089D+02 -0.121438D+02  0.169535D+01
      5  -0.594308D+00  0.780325D+01 -0.101386D+02 -0.142814D+02  0.404541D+01
      6   0.787863D-01 -0.594389D+00  0.131595D+02  0.106733D+02 -0.860050D+00
                71            72            73            74            75 
      1  -0.431883D+01 -0.101514D+02 -0.217520D+00  0.860953D+01 -0.771064D+01
      2  -0.415039D+01 -0.541202D+01  0.714653D+00 -0.530077D+01  0.158014D+01
      3   0.846922D+01  0.155634D+02 -0.497133D+00 -0.330876D+01  0.613051D+01
      4  -0.100446D+02 -0.834866D+01  0.232061D+01 -0.203014D+01  0.118529D+01
      5  -0.707698D+01 -0.132539D+02 -0.315192D+00 -0.491501D+00 -0.222528D+01
      6   0.975119D+01  0.786429D+01 -0.369076D+01  0.556644D+01 -0.482314D+01
                76            77            78            79            80 
      1   0.815744D+01 -0.177295D+02  0.117266D+02 -0.343958D+01  0.981373D+01
      2  -0.462079D+01  0.139824D+02 -0.436207D+01  0.773629D+00 -0.272673D+01
      3  -0.353665D+01  0.374719D+01 -0.736457D+01  0.266595D+01 -0.708700D+01
      4   0.297391D+01  0.154560D+02 -0.108794D+02 -0.419443D+00 -0.826947D+01
      5  -0.436651D+01 -0.818832D+01  0.836428D+01  0.227638D+01  0.529385D+01
      6   0.958421D+00 -0.174509D+02  0.148451D+02 -0.146542D+01  0.129627D+02
                81            82            83            84            85 
      1  -0.146618D+02  0.572067D+00  0.148317D+02  0.388421D+01 -0.539176D+01
      2   0.896945D+00 -0.975931D+00 -0.108674D+02  0.168530D+00  0.148060D+02
      3   0.137648D+02  0.403864D+00 -0.396434D+01 -0.405274D+01 -0.941422D+01
      4   0.602274D+01  0.104533D+02 -0.124510D+02 -0.844010D+00  0.255172D+01
      5  -0.877620D+01  0.241872D+01 -0.140427D+01 -0.193103D+01  0.243156D+01
      6  -0.122249D+02  0.231448D+01 -0.137739D+01 -0.446672D+01  0.858988D+01
                86            87            88            89            90 
      1   0.165095D+01  0.449168D+01 -0.186191D+01  0.551959D+01 -0.137022D+02
      2  -0.515773D+01 -0.289833D+01  0.742691D+01 -0.752211D+01  0.279896D+01
      3   0.350678D+01 -0.159335D+01 -0.556501D+01  0.200252D+01  0.109032D+02
      4   0.137697D+02  0.303095D+01  0.311291D+01  0.124520D+01  0.294545D+01
      5   0.309266D+01 -0.123265D+01  0.262714D+01  0.163472D+01 -0.121941D+01
      6  -0.523427D+01  0.499115D+01 -0.387196D+01  0.115679D+02 -0.402986D+00
                91            92            93            94            95 
      1   0.828930D+01 -0.195897D+02 -0.228038D+01  0.219459D+02  0.118329D+02
      2  -0.919527D+01  0.126601D+02  0.353665D+00 -0.186080D+02 -0.155501D+02
      3   0.905973D+00  0.692955D+01  0.192671D+01 -0.333791D+01  0.371720D+01
      4  -0.137733D+02 -0.597354D+01 -0.346570D+01  0.951414D+01 -0.541942D+01
      5  -0.473098D+01 -0.229305D+01 -0.816193D+00  0.150909D+00 -0.636240D+01
      6  -0.464051D+01 -0.167634D+01  0.349115D+01 -0.465368D+01 -0.101589D+02
                96            97            98            99           100 
      1   0.378524D+01  0.443982D+01  0.749546D+00 -0.549280D+01 -0.138869D+02
      2  -0.590443D+01 -0.740127D+01 -0.860653D+01 -0.445928D+01  0.101523D+02
      3   0.211919D+01  0.296145D+01  0.785699D+01  0.995207D+01  0.373456D+01
      4  -0.602111D+01 -0.348913D+01 -0.989923D+01  0.137655D+02 -0.297862D+01
      5   0.715656D+01  0.117877D+02  0.143207D+02  0.851458D+01 -0.419776D+01
      6   0.357987D+01  0.609470D+01  0.137061D+02  0.339000D+01  0.142546D+01
               101           102           103           104           105 
      1  -0.399631D+01 -0.499681D+01  0.899865D+01 -0.202576D+02 -0.708398D+01
      2   0.320772D+01  0.240372D+01 -0.717641D+01  0.171736D+02  0.818404D+01
      3   0.788591D+00  0.259309D+01 -0.182224D+01  0.308406D+01 -0.110005D+01
      4   0.220749D+02  0.118954D+01 -0.169822D+02 -0.316092D+01 -0.307012D+01
      5   0.900888D+00  0.137714D+02 -0.112523D+02 -0.126948D+01  0.758343D+00
      6   0.770339D+00  0.174179D+01 -0.265316D+01  0.302897D+01 -0.135590D+01
               106           107           108           109           110 
      1  -0.423232D+01 -0.844692D+01  0.145687D+02 -0.123420D+01  0.221208D+02
      2  -0.173988D+00  0.612022D+01 -0.164131D+02 -0.360694D+01 -0.138098D+02
      3   0.440631D+01  0.232671D+01  0.184445D+01  0.484114D+01 -0.831105D+01
      4  -0.121503D+02 -0.127424D+01  0.249940D+01  0.153490D+02  0.139279D+01
      5   0.348063D+02  0.331031D+01  0.476693D+01  0.190711D+00  0.200131D+00
      6   0.174777D+01  0.443375D+01 -0.356993D+01 -0.190322D+00 -0.159354D+01
               111           112           113           114           115 
      1   0.443055D+01 -0.270385D+02  0.362291D+01 -0.138877D+00 -0.770431D+01
      2  -0.458553D+00  0.243591D+02 -0.749134D+01 -0.701253D+00  0.962203D+01
      3  -0.397199D+01  0.267936D+01  0.386843D+01  0.840130D+00 -0.191773D+01
      4   0.156461D+01 -0.528669D+00  0.114238D+02  0.845624D+01 -0.224178D+01
      5   0.542127D+01 -0.577640D+01  0.728182D+01 -0.786014D+01  0.184293D+02
      6  -0.571399D+01  0.652836D+01 -0.548088D+01  0.333336D+01 -0.723825D+01
               116           117           118           119           120 
      1   0.395925D+01  0.232140D+01  0.112776D+02 -0.901015D+01  0.441103D+00
      2  -0.715443D+01 -0.808621D+01 -0.652903D+01  0.709111D+01 -0.326683D+00
      3   0.319518D+01  0.576481D+01 -0.474853D+01  0.191904D+01 -0.114420D+00
      4   0.929207D+01 -0.149834D+02 -0.581432D+01 -0.179402D+02 -0.285532D+01
      5  -0.150773D+02 -0.744681D+01  0.965660D+00 -0.189779D+01 -0.430956D+01
      6   0.115628D+02 -0.917432D+00 -0.843673D+00 -0.152439D+01  0.369975D+01
               121           122           123           124           125 
      1   0.105528D+01  0.962188D+01  0.480240D+01  0.214765D+01  0.366394D+01
      2  -0.103304D+02 -0.130987D+02 -0.738532D+01 -0.465201D+01 -0.104174D+02
      3   0.927508D+01  0.347685D+01  0.258292D+01  0.250436D+01  0.675346D+01
      4   0.108475D+02 -0.135820D+02 -0.231904D+01 -0.102191D+01 -0.321489D+01
      5  -0.871812D+00 -0.270430D+01  0.154261D+00  0.387520D+01 -0.534049D+01
      6  -0.573997D+01 -0.103260D+02  0.271967D+01  0.163504D+01  0.133595D+02
               126           127           128           129           130 
      1  -0.150462D+02 -0.514384D+01  0.741435D+01  0.880477D+00  0.841600D+01
      2   0.103026D+01  0.690736D+01 -0.107272D+02 -0.102853D+01 -0.114126D+02
      3   0.140159D+02 -0.176352D+01  0.331281D+01  0.148055D+00  0.299663D+01
      4  -0.675533D+01 -0.885898D+01  0.880955D+01  0.110806D+01  0.811735D+01
      5  -0.380971D+01 -0.982093D+00  0.119056D+01  0.180411D+01  0.125619D+01
      6   0.427614D+01  0.902935D+00 -0.135320D+01 -0.230574D+01 -0.232134D+01
               131           132           133           134           135 
      1  -0.207996D+02 -0.335819D+01  0.152077D+01 -0.345707D+01 -0.766216D+00
      2   0.282217D+02  0.280430D+01 -0.198816D+01  0.407968D+01  0.143721D+01
      3  -0.742216D+01  0.553892D+00  0.467392D+00 -0.622609D+00 -0.670994D+00
      4  -0.925507D+01 -0.103106D+01  0.128592D+01 -0.120395D+01 -0.185594D+01
      5  -0.135085D+01 -0.124415D+01  0.935857D+00 -0.651711D+00 -0.885174D+00
      6   0.446830D+01  0.498036D+01 -0.835156D+00  0.221784D+01  0.140164D+01
               136           137           138           139           140 
      1   0.536719D+01  0.487621D+01  0.951009D+00 -0.119001D+01 -0.159124D+02
      2   0.337294D+01  0.507071D+01  0.346052D+00  0.116432D+02  0.376866D+02
      3  -0.874013D+01 -0.994692D+01 -0.129706D+01 -0.104532D+02 -0.217742D+02
      4   0.189313D+02  0.234501D+02  0.494197D+01  0.240800D+02  0.468899D+02
      5   0.432987D+01  0.493556D+01  0.463540D+01  0.514367D+01  0.919458D+01
      6   0.324903D+01  0.380724D+01  0.287971D+01  0.520143D+01  0.125438D+02
               141           142           143           144           145 
      1  -0.343756D+01  0.997283D-01 -0.298435D+01 -0.230137D+01  0.100198D+03
      2   0.535427D+01  0.190068D+01  0.679944D+01  0.293207D+01 -0.564862D+02
      3  -0.191671D+01 -0.200041D+01 -0.381509D+01 -0.630708D+00 -0.437121D+02
      4   0.933868D+01  0.568731D+01  0.106971D+02  0.400140D+01  0.132263D+02
      5   0.619346D+01  0.214617D+01  0.340837D+01  0.241398D+01  0.986482D+01
      6   0.884949D+01  0.239643D+01  0.557148D+01  0.342061D+01 -0.190418D+01
               146           147           148           149           150 
      1   0.887032D+01  0.631149D+01  0.711912D+01  0.993777D+01  0.168722D+01
      2  -0.439318D+01 -0.426769D+01 -0.305289D+01 -0.470671D+01 -0.135521D+01
      3  -0.447713D+01 -0.204381D+01 -0.406623D+01 -0.523106D+01 -0.332003D+00
      4   0.945894D+01  0.597695D+00  0.160233D+02  0.427600D+01  0.137778D+01
      5   0.621947D+00  0.104721D+02  0.326997D+01  0.152085D+01  0.138086D+01
      6   0.268826D+00  0.555235D+00  0.856941D+00 -0.150879D+00  0.157134D+01
               151           152           153           154           155 
      1   0.753758D+01  0.191944D+01  0.408850D+01  0.216012D+02 -0.139467D+02
      2  -0.430869D+01 -0.106252D+01 -0.276979D+01 -0.356974D+01 -0.109907D+01
      3  -0.322889D+01 -0.856921D+00 -0.131870D+01 -0.180315D+02  0.150458D+02
      4   0.372984D+01  0.144249D+01  0.882915D+00 -0.335563D+02  0.307516D+02
      5   0.445463D+01  0.579646D+00  0.163294D+01 -0.574099D+01  0.406827D+01
      6   0.258808D+00  0.760544D+00  0.308788D+00  0.212794D+01 -0.183871D+01
               156           157           158           159           160 
      1  -0.244525D+01 -0.866354D+01  0.317605D+01  0.729613D+00 -0.625934D+00
      2   0.844461D+00 -0.700327D+01  0.173413D+02  0.926688D+00 -0.122623D+01
      3   0.160079D+01  0.156668D+02 -0.205174D+02 -0.165630D+01  0.185217D+01
      4   0.397081D+01  0.338610D+02 -0.447612D+02 -0.677646D+01  0.545360D+01
      5   0.599215D+01  0.598374D+01 -0.703121D+01 -0.588764D+01  0.265054D+01
      6  -0.312312D+01 -0.380775D+01  0.520208D+01  0.582791D+01 -0.211122D+01
               161           162           163           164           165 
      1   0.668561D-01 -0.241759D+00 -0.533612D+01 -0.861904D+01 -0.255611D+01
      2   0.251467D+01  0.102953D+01  0.653594D+01  0.103616D+02  0.190014D+01
      3  -0.258152D+01 -0.787772D+00 -0.119981D+01 -0.174252D+01  0.655973D+00
      4  -0.692456D+01 -0.338786D+01  0.376604D+01  0.741872D+01  0.144896D+01
      5  -0.290075D+01 -0.163846D+01  0.966807D+00  0.124826D+01  0.155836D+01
      6   0.316946D+01  0.179694D+01  0.242844D+01  0.365146D+01  0.236429D+01
               166           167           168           169           170 
      1  -0.761673D+01 -0.327452D+02 -0.792057D+01 -0.213207D+01 -0.788106D+01
      2   0.933575D+01  0.430302D+02  0.750452D+01  0.245721D+01  0.914290D+01
      3  -0.171903D+01 -0.102850D+02  0.416051D+00 -0.325139D+00 -0.126184D+01
      4   0.512657D+01 -0.426069D+00 -0.496743D+00  0.145652D+01  0.300436D-01
      5   0.105054D+01 -0.568777D+00 -0.192205D+00  0.767495D+00  0.605560D+00
      6   0.294981D+01  0.126474D+02  0.860136D+01  0.113811D+01  0.505142D+01
               171 
      1  -0.333246D+01
      2   0.353316D+01
      3  -0.200698D+00
      4   0.138271D+01
      5   0.551078D+00
      6   0.351703D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541766D+00      0.137703D+01      0.459328D+01
   x          0.430597D+00      0.109447D+01      0.365076D+01
   y         -0.282856D+00     -0.718948D+00     -0.239815D+01
   z         -0.167596D+00     -0.425986D+00     -0.142094D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.948585D+02      0.140566D+02      0.156401D+02
   aniso      0.463482D+02      0.686809D+01      0.764178D+01
   xx         0.119741D+03      0.177437D+02      0.197426D+02
   yx         0.978013D+00      0.144927D+00      0.161253D+00
   yy         0.974025D+02      0.144336D+02      0.160595D+02
   zx         0.390203D+00      0.578222D-01      0.643358D-01
   zy         0.510433D+01      0.756383D+00      0.841590D+00
   zz         0.674325D+02      0.999246D+01      0.111181D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.101955D+03      0.151081D+02      0.168101D+02
   aniso      0.494641D+02      0.732982D+01      0.815553D+01
   xx         0.129064D+03      0.191253D+02      0.212798D+02
   yx         0.771688D+00      0.114352D+00      0.127234D+00
   yy         0.103784D+03      0.153792D+02      0.171117D+02
   zx         0.731508D+00      0.108398D+00      0.120609D+00
   zy         0.515564D+01      0.763986D+00      0.850050D+00
   zz         0.730160D+02      0.108199D+02      0.120387D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -3.12982941         -0.62820153         -3.65767643
     6         -2.17234194          1.27559950         -1.99743722
     1         -3.87341185         -1.94798094         -2.64643554
     1         -3.75430812          2.21636858         -1.04102173
     6         -0.82607496          3.19883798         -3.65722918
     6         -0.44402530          0.18873548          0.00613316
     1         -2.12656188          3.94558091         -5.07078125
     1          0.76199081          2.30833506         -4.62398569
     1         -0.10870316          4.75625079         -2.51476853
     6          1.28484939         -1.70755937         -0.59546326
     6          2.91321040         -2.65401771          1.23176328
     6          2.84193646         -1.71084278          3.68423608
     6          1.12418060          0.17700041          4.29975684
     6         -0.51064626          1.11312418          2.46900096
     1          1.33080332         -2.44596170         -2.50217498
     1          4.24389039         -4.12896869          0.74204661
     1          4.11085719         -2.45046137          5.10768329
     1          1.04685552          0.91204869          6.20734132
     1         -1.85932682          2.57513253          2.95893918

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541766D+00      0.137703D+01      0.459328D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.541766D+00      0.137703D+01      0.459328D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.948585D+02      0.140566D+02      0.156401D+02
   aniso      0.463482D+02      0.686809D+01      0.764178D+01
   xx         0.876665D+02      0.129908D+02      0.144543D+02
   yx        -0.189601D+02     -0.280960D+01     -0.312610D+01
   yy         0.876181D+02      0.129837D+02      0.144463D+02
   zx         0.141049D+02      0.209014D+01      0.232559D+01
   zy        -0.118088D+01     -0.174988D+00     -0.194700D+00
   zz         0.109291D+03      0.161952D+02      0.180196D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.101955D+03      0.151081D+02      0.168101D+02
   aniso      0.494641D+02      0.732982D+01      0.815553D+01
   xx         0.945709D+02      0.140140D+02      0.155926D+02
   yx        -0.196861D+02     -0.291718D+01     -0.324580D+01
   yy         0.938187D+02      0.139025D+02      0.154686D+02
   zx         0.156497D+02      0.231904D+01      0.258028D+01
   zy        -0.152363D+01     -0.225778D+00     -0.251212D+00
   zz         0.117475D+03      0.174079D+02      0.193689D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-05\Freq\RB3LYP\Gen\C8H10O1\PIERPA\12-Aug-2021\0\\#P B
 3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,
 MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculati
 ons.\\0,1\O,-2.290197,0.748875,-0.891176\C,-1.648974,-0.346953,-0.2342
 59\H,-1.847181,0.89778,-1.734096\H,-1.837741,-1.270698,-0.796269\C,-2.
 300915,-0.468453,1.13504\C,-0.150678,-0.155244,-0.135613\H,-3.376843,-
 0.608909,1.025779\H,-2.123257,0.43811,1.715196\H,-1.885133,-1.316357,1
 .680026\C,0.387808,1.095483,0.166105\C,1.761013,1.260318,0.29037\C,2.6
 14804,0.175587,0.119503\C,2.086637,-1.073581,-0.182153\C,0.71191,-1.23
 4195,-0.311415\H,-0.277717,1.939381,0.293556\H,2.166838,2.236806,0.522
 706\H,3.685054,0.30503,0.215836\H,2.7445,-1.921576,-0.323868\H,0.30341
 9,-2.20834,-0.554934\\Version=ES64L-G16RevA.03\State=1-A\HF=-386.27848
 88\RMSD=7.112e-09\RMSF=9.456e-06\ZeroPoint=0.1609545\Thermal=0.1693136
 \Dipole=0.4305974,-0.2828561,-0.1675958\DipoleDeriv=-0.7210223,0.10377
 41,-0.226966,0.1414821,-0.6303144,0.2260297,-0.2804742,0.2018996,-0.52
 14216,0.6035149,-0.0844119,0.1148161,-0.1307462,0.5480472,-0.1988573,0
 .2325874,-0.162151,0.5210662,0.2984645,-0.0008649,0.1381764,0.0172914,
 0.2448135,-0.0078829,0.1557806,-0.0024072,0.199106,-0.021733,0.0102186
 ,-0.0083815,-0.0324533,-0.1652284,-0.0527038,-0.0097572,-0.0835975,-0.
 0643515,-0.0371591,-0.0218875,0.07232,0.0349417,0.0871121,0.0113428,-0
 .0319123,0.0268437,-0.0496301,0.1104432,0.0386928,-0.0712925,-0.003182
 4,-0.0931657,0.0307125,-0.0645562,0.0063393,-0.1410254,-0.1837512,-0.0
 411913,0.0241973,-0.0315764,0.0771133,-0.0047815,0.0192367,0.0006617,0
 .0428602,0.0569604,-0.0568268,-0.0177637,-0.0185485,-0.0582936,-0.0964
 775,0.0057393,-0.0384799,0.0046716,0.0431172,0.0799428,-0.041766,0.053
 12,-0.0440889,0.0792067,-0.0303177,0.0412156,0.011377,-0.1045306,-0.07
 02375,-0.003146,-0.0773265,-0.0149048,0.0270338,0.008888,0.0192507,-0.
 1161486,0.0029953,0.0567117,0.0253131,0.0462344,0.0991859,0.0500578,0.
 0177537,0.0535446,-0.1186881,0.05038,0.0144015,0.0213011,0.0231563,-0.
 0745926,0.0213966,0.0187617,0.0140679,-0.1342526,0.0139337,-0.072175,-
 0.0133092,-0.0841257,0.0542422,0.0326967,-0.0041665,0.0376461,-0.12064
 35,-0.1104601,0.0449584,0.0290593,0.0504556,0.0577419,0.0392027,0.0036
 884,0.0416523,-0.1143695,0.0435073,0.0725788,0.0112442,0.0672999,0.004
 6476,-0.0230665,0.0162294,-0.0165499,0.1187147,0.0302049,-0.0558177,-0
 .0165519,-0.065177,-0.0703869,-0.0453133,-0.0259383,-0.0447221,0.11913
 53,-0.104623,-0.0198313,-0.0191668,-0.0203518,0.0690285,-0.0153358,-0.
 0177382,-0.0147567,0.1314388,-0.0083116,0.0797177,0.0092625,0.0884726,
 -0.0346975,-0.031182,0.0096326,-0.0335022,0.1250233,0.0380695,-0.07775
 24,-0.0273463,-0.0589662,-0.0562594,-0.0420789,-0.023437,-0.0469548,0.
 1071378\Polar=119.7405725,0.9780134,97.4025097,0.3902033,5.1043267,67.
 4324891\Quadrupole=-1.556693,1.9292254,-0.3725323,1.8510139,0.0925617,
 0.5609345\PG=C01 [X(C8H10O1)]\NImag=0\\0.25261796,-0.07007623,0.232045
 89,-0.17446266,-0.15017118,0.50774586,-0.09931866,0.05923782,-0.023877
 96,0.47267916,0.03880595,-0.15205840,0.05149947,0.02662464,0.54426843,
 0.00181891,0.02794576,-0.10129775,-0.00706156,0.06733659,0.49423967,-0
 .13276718,-0.02487932,0.21978768,0.00549694,0.00640108,-0.02043247,0.1
 2642656,-0.00245634,-0.03517466,0.04856416,-0.01475894,-0.00822577,0.0
 3239115,0.01518451,0.04683049,0.18659022,0.08052328,-0.38427390,0.0105
 3858,0.00044160,-0.01819485,-0.19581727,-0.08280631,0.40149947,0.00189
 002,0.02134611,0.00442436,-0.05951308,-0.03894081,-0.02504570,-0.00007
 898,-0.00081471,0.00065319,0.07023666,0.00724532,-0.03534581,0.0004574
 7,-0.04148216,-0.20502165,-0.10613912,0.00053852,-0.00020484,-0.000791
 52,0.03622989,0.23801032,-0.00063070,0.02181364,0.00986306,-0.02551299
 ,-0.10715628,-0.12001080,0.00029586,0.00012636,0.00138254,0.02589667,0
 .11065839,0.12908536,0.00815888,0.00530067,-0.01651146,-0.09759454,-0.
 00616852,0.05243382,-0.00114229,0.00296874,-0.00292630,0.00278352,-0.0
 0005070,-0.00445173,0.55728913,-0.00986822,-0.01041109,0.03992760,0.00
 036226,-0.07497585,-0.00982974,0.00215626,-0.00477707,0.00485879,0.011
 31537,0.00367531,-0.02553698,-0.00660335,0.57703354,0.00594744,0.01338
 685,-0.02811584,0.03727503,0.00012879,-0.16124186,-0.00168357,0.001711
 20,-0.00137676,0.00972129,0.00031510,-0.01941772,0.04506389,0.00236938
 ,0.48777659,-0.02475093,0.01028772,-0.00876279,-0.17849208,-0.02196708
 ,-0.01036841,0.00168853,0.00069191,0.00032995,-0.01097817,-0.00360544,
 0.00218019,-0.02201389,-0.00504927,0.01099566,0.62548611,0.03819798,-0
 .00469461,0.00870932,-0.02412918,-0.09636292,-0.00754077,0.00058226,0.
 00129165,-0.00173787,-0.02819331,-0.00534510,-0.00195203,-0.00324242,0
 .00107951,0.00014535,-0.01429627,0.65687748,-0.01997314,0.00715428,-0.
 00265088,-0.00203024,-0.00986984,-0.07498211,-0.00141041,-0.00081227,0
 .00106747,-0.01736546,-0.00560561,0.00097919,0.03022581,0.00563194,0.0
 0329424,0.01902408,0.09525531,0.20300330,0.00165260,0.00020466,-0.0009
 3585,-0.01542914,-0.00166617,-0.00215064,0.00025412,0.00004932,-0.0000
 7921,0.00063396,0.00041369,0.00016588,-0.30294995,-0.03444060,-0.02847
 983,-0.00014569,0.00021608,0.00317269,0.33019157,-0.00030781,0.0001201
 4,-0.00006747,-0.00184971,-0.00138646,-0.00014752,0.00018133,-0.000029
 76,-0.00018317,0.00053652,0.00003434,0.00032282,-0.03360472,-0.0526320
 9,-0.00464334,-0.00049673,0.00112335,0.00045696,0.03722842,0.05090942,
 -0.00103584,-0.00130492,0.00220759,0.03305041,0.00484571,0.00132047,-0
 .00004355,-0.00030738,0.00038074,-0.00061794,-0.00017859,0.00155644,-0
 .03132489,-0.00446969,-0.05038589,0.00044408,0.00077125,-0.00518819,0.
 02982283,0.00482011,0.05365140,0.00030593,-0.00039218,-0.00165505,0.00
 094705,0.01367919,0.00881285,-0.00008414,0.00021500,-0.00010931,-0.000
 50058,-0.00044401,0.00314281,-0.05541711,-0.03881813,-0.02398011,0.001
 38869,0.00108811,-0.00016613,-0.00379142,-0.02689042,-0.01647173,0.056
 00314,-0.00026576,0.00151019,-0.00030556,0.00083335,0.00045682,0.00120
 447,-0.00005583,0.00018812,-0.00003986,0.00006392,0.00119815,0.0008651
 3,-0.03715973,-0.23063179,-0.11589354,-0.00014940,0.00047563,0.0001782
 7,-0.00042638,-0.00253715,-0.00083718,0.04152026,0.24861077,-0.0003383
 5,0.00028395,0.00317286,-0.00392619,-0.02795995,-0.02001318,-0.0000414
 0,-0.00004164,0.00063707,0.00285674,0.00127816,-0.00504988,-0.02336444
 ,-0.11358743,-0.11763282,-0.00189514,0.00043199,0.00120329,-0.00058847
 ,-0.00207703,-0.00206609,0.02295050,0.12755182,0.12981212,-0.00056747,
 -0.00101803,0.00371168,0.00401403,-0.01174757,0.00483716,0.00084479,-0
 .00051779,0.00069962,0.00044111,0.00015068,-0.00055589,-0.08676233,0.0
 8107289,-0.05083323,0.00021256,-0.00047658,0.00004699,-0.01007763,0.02
 514212,-0.01544139,0.00139369,-0.00475105,0.00365300,0.09042262,-0.000
 62528,0.00086993,0.00088380,0.00067112,-0.00327190,-0.00091265,0.00037
 580,0.00048830,0.00013696,-0.00029511,0.00051107,0.00039288,0.07887060
 ,-0.20752071,0.10286779,0.00070012,0.00034987,-0.00013711,-0.00154956,
 0.00431543,-0.00351615,0.01020156,-0.01951056,0.01386575,-0.08797394,0
 .22363290,0.00355135,0.00143210,-0.00741301,-0.01364922,0.02278706,-0.
 01015196,-0.00074270,0.00153831,-0.00088132,-0.00053178,-0.00087004,0.
 00074837,-0.04835250,0.10042038,-0.11195572,-0.00081053,-0.00033782,0.
 00033235,-0.00105087,0.00149838,-0.00209720,0.00744333,-0.01312605,0.0
 0968214,0.05377954,-0.11327523,0.12153153,0.00031731,-0.00140010,0.000
 46982,-0.01551914,-0.03110814,-0.00891108,-0.00017351,-0.00015000,-0.0
 0002491,-0.00561382,-0.00101791,-0.00090803,-0.00082721,-0.00097455,-0
 .00244134,-0.15194988,-0.03103073,-0.01024203,0.00013268,-0.00025076,0
 .00062741,0.00026810,0.00015591,0.00004109,0.00016211,-0.00019786,0.00
 044929,0.70170581,0.00019809,-0.00302504,0.00025882,-0.01159145,0.0023
 8795,-0.00203291,-0.00048917,0.00050837,0.00000079,0.00156450,0.000932
 00,-0.00024170,0.00086084,0.00004313,-0.00078588,-0.08816498,-0.274772
 17,-0.04874876,0.00046500,-0.00006613,-0.00005007,0.00004105,0.0000887
 3,-0.00049777,0.00002906,-0.00048199,0.00013138,-0.04569555,0.67133910
 ,-0.00057898,-0.00369384,0.00150923,-0.00524664,0.00056314,0.00069204,
 0.00035908,0.00052773,0.00034786,-0.00024554,-0.00045367,0.00067236,0.
 00061770,-0.00009658,-0.00026404,-0.02274607,-0.04433185,-0.07874109,0
 .00033706,0.00004974,0.00016863,-0.00008994,0.00024721,0.00017457,0.00
 000601,-0.00021966,0.00021258,0.02660501,0.10873483,0.15923092,0.00109
 691,0.00087551,-0.00058771,0.00275451,-0.00271402,-0.00006403,-0.00063
 696,-0.00020907,-0.00050614,0.00001365,0.00045451,0.00062222,0.0005110
 4,0.00068624,0.00070109,-0.01343999,-0.08190586,-0.01946428,-0.0000950
 0,0.00051826,-0.00001885,-0.00046827,0.00019144,0.00049809,-0.00006220
 ,0.00012561,-0.00041511,-0.33152468,0.00864240,-0.01484450,0.67063036,
 0.00095179,0.00162012,0.00049348,0.00019959,-0.00578391,-0.00297604,-0
 .00012848,-0.00011635,-0.00006650,-0.00174227,-0.00033826,-0.00038662,
 0.00054696,-0.00026114,-0.00023363,-0.03683189,0.01905811,0.00180917,0
 .00012013,-0.00009914,-0.00004435,0.00006903,-0.00000342,0.00011079,-0
 .00001345,0.00000539,0.00017529,-0.05458637,-0.12875093,-0.01935023,0.
 01988577,0.70150650,0.00066634,-0.00036416,0.00018564,-0.00022951,-0.0
 0182199,0.00587995,0.00016542,0.00006968,-0.00012154,0.00034875,0.0001
 1177,0.00000573,-0.00113100,-0.00031930,-0.00013369,-0.00918989,-0.002
 98591,0.00509840,-0.00012497,0.00018297,0.00040202,-0.00014352,0.00009
 023,0.00012118,0.00001251,0.00001740,-0.00011718,-0.02924544,-0.014441
 44,-0.06444335,0.04016083,0.12142124,0.15858025,-0.00081147,-0.0000970
 3,-0.00016781,-0.00030844,0.00029359,0.00069653,0.00014906,-0.00011625
 ,0.00023168,0.00004449,0.00004154,0.00007046,-0.00067302,-0.00001826,-
 0.00071630,0.00025690,0.00906906,0.00157395,-0.00013072,-0.00005926,0.
 00027830,0.00008626,0.00008400,-0.00003853,0.00005570,-0.00005150,-0.0
 0002020,-0.04243168,0.02025942,0.00129880,-0.20456532,0.12830230,0.017
 22329,0.73800675,0.00107632,0.00064535,-0.00061926,0.00002997,-0.00260
 970,0.00098336,-0.00046551,-0.00013068,-0.00041434,0.00015635,0.000509
 44,0.00048038,0.00030663,0.00062626,0.00020092,0.00892857,-0.06609838,
 -0.01266681,-0.00003832,0.00046253,0.00003668,-0.00038577,0.00012055,0
 .00047376,0.00000946,0.00013853,-0.00037662,0.06586775,0.04427506,0.01
 314800,0.06506392,-0.24845911,-0.03499472,0.00437525,0.63700602,0.0000
 5304,0.00030789,-0.00025831,0.00000925,-0.00047102,-0.00072663,-0.0001
 5661,-0.00003724,-0.00007971,-0.00009603,0.00010279,0.00018028,0.00014
 640,0.00018455,0.00006525,0.00268605,-0.01221809,-0.00849752,0.0000013
 0,0.00009543,-0.00002585,-0.00006384,0.00001523,0.00005768,-0.00000078
 ,0.00003607,-0.00011564,0.01054242,0.00924608,0.00894629,0.00407288,-0
 .03124948,-0.06536558,0.04119862,0.10809695,0.15324174,-0.00198325,-0.
 00062658,0.00046038,0.00232253,0.00470582,-0.00109592,0.00050829,0.000
 15105,0.00055633,-0.00005499,-0.00074373,-0.00051714,-0.00041828,-0.00
 055095,0.00006374,-0.04182034,0.06683519,0.01124802,-0.00004445,-0.000
 51536,-0.00001673,0.00036829,-0.00014195,-0.00049521,-0.00010261,-0.00
 022187,0.00046944,-0.04249564,-0.03099526,-0.00988810,0.06240067,-0.00
 739002,0.00190952,-0.15863366,-0.03726478,-0.01401141,0.68604084,0.000
 48882,-0.00005216,0.00097085,0.00141137,-0.00303029,-0.00283893,0.0002
 1171,-0.00014246,0.00009152,0.00018898,-0.00004401,0.00021417,-0.00000
 151,-0.00016662,0.00002610,0.02102898,0.04411336,0.00879600,0.00002513
 ,-0.00017259,-0.00008972,0.00016481,0.00000427,-0.00014512,0.00003280,
 -0.00000177,0.00001957,-0.03144233,-0.02438735,-0.00596357,0.03879142,
 -0.05601787,-0.01089887,-0.10039208,-0.29105482,-0.05596227,-0.0446022
 1,0.68723624,0.00179846,-0.00069325,0.00055927,-0.00178359,-0.00235931
 ,0.00665731,0.00015868,0.00004851,-0.00029840,0.00008536,0.00073196,0.
 00000645,-0.00146161,0.00009786,-0.00041468,0.00211765,0.01282313,0.00
 847298,-0.00021019,-0.00017732,0.00036706,0.00010645,-0.00003353,-0.00
 007628,0.00001511,-0.00011653,0.00006418,-0.00935904,-0.00608780,-0.00
 851240,0.01211011,-0.01401675,0.00450332,-0.02782077,-0.05200154,-0.07
 180225,0.02726938,0.11739942,0.15635947,-0.00417624,0.00192526,-0.0017
 6993,-0.02318830,0.02253621,0.00524403,-0.00064601,-0.00018669,-0.0000
 0628,0.00097777,0.00245454,0.00064837,-0.00049356,0.00078368,-0.001276
 03,-0.19785573,0.06068049,0.00438712,-0.00007690,0.00033344,0.00058801
 ,-0.00049679,0.00026103,0.00055802,-0.00002689,-0.00008591,-0.00013850
 ,0.06002426,0.03661727,0.01197369,-0.05844552,0.02411628,0.00207495,-0
 .01380172,-0.08194005,-0.01929505,-0.32726262,0.00954034,-0.01569910,0
 .67693738,-0.00418736,0.00094521,-0.00127711,0.00512688,0.00738600,0.0
 0093803,0.00070410,-0.00005415,0.00048467,-0.00250533,0.00020744,-0.00
 026329,-0.00183223,-0.00092349,0.00062325,0.12215083,-0.24119226,-0.02
 939246,-0.00059511,-0.00018025,0.00014655,0.00028125,-0.00012610,-0.00
 025264,-0.00002648,0.00030297,0.00014988,-0.00634965,-0.05492162,-0.01
 503146,0.02323749,-0.01130092,0.00077285,-0.03559243,0.01905373,0.0004
 2179,-0.05387965,-0.12814758,-0.01836523,0.02117485,0.68674269,-0.0027
 4823,0.00118260,-0.00069631,0.00003295,0.00085586,0.00463849,0.0002760
 5,-0.00028080,0.00031749,0.00007093,0.00081840,0.00038717,-0.00004163,
 0.00053151,-0.00070591,0.01716579,-0.03534442,-0.07287138,0.00008848,0
 .00001480,0.00023269,-0.00005530,0.00001351,0.00022304,0.00001424,-0.0
 0018909,0.00034585,0.00329170,-0.01071165,0.00794439,0.00032065,0.0011
 9929,-0.00676772,-0.00898548,-0.00398618,0.00490152,-0.02889367,-0.013
 73394,-0.06407067,0.04097545,0.12329846,0.16206549,-0.00097028,-0.0004
 8235,0.00011019,-0.00036817,-0.00034816,0.00024504,-0.00001437,-0.0000
 0796,-0.00030430,0.00026913,0.00026758,-0.00004544,-0.00019164,-0.0000
 2875,-0.00008911,0.01232029,-0.00817802,-0.00134421,0.00000009,0.00003
 907,0.00002674,-0.00007108,-0.00014982,0.00016061,0.00003753,0.0000836
 9,-0.00004582,-0.16203366,0.13202630,0.01917167,-0.01423617,0.02571911
 ,0.00429295,-0.00495823,-0.00202288,-0.00132254,-0.00047143,-0.0008854
 7,-0.00017841,-0.00032488,-0.00254949,-0.00101097,0.17023781,0.0005782
 0,0.00201276,0.00038829,0.00210961,-0.00119084,0.00127581,-0.00017453,
 -0.00018875,-0.00033264,-0.00003894,0.00013529,0.00008294,-0.00039265,
 -0.00026395,-0.00031304,0.01874155,-0.01894228,-0.00371594,-0.00005017
 ,0.00011997,0.00020540,-0.00021084,0.00006927,0.00041726,0.00005986,0.
 00017028,-0.00005728,0.13171917,-0.22776911,-0.03011175,-0.00419661,0.
 00712068,0.00070326,-0.00132338,0.00164256,-0.00124480,-0.00094001,-0.
 00002616,0.00002168,-0.00341984,-0.00356143,-0.00219853,-0.14358279,0.
 24087962,-0.00002751,0.00141510,-0.00039781,0.00107123,-0.00011141,-0.
 00272700,-0.00055983,-0.00062037,-0.00056680,-0.00027958,0.00022264,-0
 .00018606,0.00031422,0.00025361,0.00022323,0.00387567,-0.00540446,0.00
 316523,-0.00000402,-0.00023738,-0.00023462,0.00029132,0.00003250,-0.00
 020379,0.00001862,0.00001430,0.00000047,0.01907270,-0.02923477,-0.0419
 7755,-0.00190086,0.00243773,0.00285997,-0.00105425,-0.00139199,0.00734
 975,-0.00011898,0.00010448,-0.00062192,-0.00119227,-0.00238411,0.00578
 247,-0.02009698,0.03395128,0.03195285,-0.00001296,0.00028898,-0.000102
 19,0.00043972,-0.00163402,-0.00027565,0.00003026,-0.00004426,0.0000542
 1,-0.00051482,-0.00010819,-0.00004565,-0.00002287,-0.00001045,-0.00011
 313,-0.00585325,0.00031498,-0.00061437,-0.00003958,0.00001306,0.000059
 69,0.00000835,0.00002328,0.00004230,0.00000112,-0.00000015,0.00000555,
 -0.00737424,-0.02987356,-0.00703373,-0.09808660,-0.09238567,-0.0237038
 5,0.01145903,0.01861771,0.00452727,-0.00177968,0.00343453,0.00009677,-
 0.00104674,0.00074214,0.00011769,0.00114626,0.00039480,0.00039014,0.10
 035506,-0.00012618,0.00007505,-0.00005409,0.00036885,-0.00015979,-0.00
 006408,0.00004113,-0.00003062,0.00004886,-0.00010209,-0.00001194,0.000
 03883,-0.00007100,-0.00000649,-0.00003085,-0.00033532,0.00223752,-0.00
 118607,-0.00002465,-0.00001231,0.00003165,0.00000441,0.00001071,-0.000
 00836,0.00000871,-0.00000717,-0.00000646,0.00019322,0.00002187,-0.0004
 3494,-0.09235674,-0.28242713,-0.05809510,-0.01177614,-0.01806257,-0.00
 499064,0.00432516,-0.00181225,-0.00166057,0.00071788,0.00043500,0.0002
 9912,-0.00040853,0.00061837,0.00093427,0.10003174,0.29937874,-0.000188
 62,0.00013454,-0.00009326,0.00033116,-0.00035718,0.00019643,-0.0000274
 3,-0.00001598,0.00004533,0.00000172,-0.00001588,-0.00011380,0.00003137
 ,0.00000232,-0.00007787,-0.00120895,-0.00124815,0.00745971,-0.00002426
 ,0.00002593,0.00000014,0.00002742,0.00000710,0.00001363,-0.00000093,0.
 00001249,0.00000235,-0.00051213,-0.00227825,0.00176559,-0.02365154,-0.
 05812783,-0.04916581,-0.00185319,-0.00289264,0.00133689,0.00023409,-0.
 00173912,0.00696299,0.00008287,0.00029599,-0.00059176,0.00032462,0.000
 94685,-0.00372828,0.02612609,0.06428940,0.04041571,-0.00016566,-0.0000
 3321,-0.00007249,0.00005918,-0.00000478,0.00002020,0.00004714,0.000003
 67,0.00006469,-0.00000834,0.00000597,0.00000635,0.00000064,0.00002149,
 0.00001468,0.00066302,0.00025578,0.00020115,-0.00002097,-0.00000546,0.
 00000283,0.00000948,0.00000278,-0.00001461,0.00000572,-0.00001018,-0.0
 0000855,-0.00020313,0.00384109,0.00030860,-0.01505546,-0.00486640,-0.0
 0209236,-0.32932100,-0.03223800,-0.02591975,-0.00809943,0.00077588,-0.
 00045042,0.00134755,-0.00227821,-0.00088389,-0.00073596,-0.00032288,-0
 .00012308,0.00086819,0.00021206,0.00034350,0.35029355,0.00003023,0.000
 19048,0.00000213,-0.00005503,-0.00012295,0.00023106,-0.00002420,-0.000
 03227,-0.00003568,0.00008179,0.00010025,0.00005572,-0.00001903,0.00001
 345,-0.00000304,0.00024225,-0.00137454,-0.00008083,-0.00000692,0.00001
 515,0.00001532,-0.00002572,0.00000857,0.00003872,0.00000651,0.00000893
 ,-0.00002196,0.00289128,-0.00332467,-0.00205283,0.02564915,0.00739097,
 0.00286260,-0.03224857,-0.06263681,-0.00808653,-0.02967274,0.00123624,
 -0.00196014,-0.00134641,-0.00448132,-0.00269670,0.00119542,0.00019754,
 0.00006537,-0.00066411,0.00078999,0.00087899,0.03487922,0.06127963,-0.
 00007369,0.00019361,-0.00001585,0.00033817,0.00023002,-0.00091156,-0.0
 0002689,-0.00003714,0.00002558,-0.00000275,-0.00011682,-0.00002912,0.0
 0012469,-0.00005156,0.00002064,-0.00002608,-0.00002207,-0.00104395,0.0
 0001608,-0.00001187,-0.00005752,0.00001746,-0.00000186,-0.00001414,0.0
 0000052,0.00001869,0.00000149,0.00031583,-0.00193490,0.00719611,0.0040
 6289,0.00108904,0.00206309,-0.02578268,-0.00815710,-0.03759970,-0.0069
 5932,-0.00012215,0.00115274,-0.00072311,-0.00281212,0.00707340,0.00015
 323,-0.00003266,0.00015042,0.00017295,0.00093944,-0.00339742,0.0284141
 6,0.00996271,0.02868490,-0.00073288,0.00026415,-0.00026395,0.00040584,
 0.00124278,0.00034449,0.00005271,-0.00002574,0.00011352,-0.00002227,-0
 .00005080,-0.00004698,-0.00014724,-0.00004148,-0.00011556,-0.00536551,
 -0.00215511,-0.00122152,-0.00006227,-0.00001384,0.00006934,0.00001515,
 0.00001113,0.00000420,0.00000384,-0.00001125,0.00002530,-0.00053769,-0
 .00100179,-0.00020116,0.00013916,-0.00258541,-0.00102282,0.01122545,-0
 .01068070,-0.00170424,-0.16122901,0.13130581,0.02021168,-0.01444204,0.
 02645083,0.00476845,0.00002736,0.00008837,0.00008653,0.00035106,-0.000
 60636,-0.00011106,0.00079459,0.00049083,0.00038803,0.16843609,-0.00002
 701,0.00000802,0.00000053,-0.00028156,0.00015474,-0.00004155,-0.000026
 13,-0.00000394,-0.00002564,0.00001598,0.00000592,-0.00001380,0.0000387
 9,-0.00001878,0.00000726,-0.00122196,0.00180230,-0.00130821,0.00001857
 ,0.00000259,-0.00001440,0.00000143,-0.00000121,0.00000080,-0.00000642,
 -0.00000117,0.00001487,-0.00094429,-0.00001784,0.00011464,-0.00353883,
 -0.00345079,-0.00259635,0.01968627,-0.01774886,-0.00303813,0.13130863,
 -0.22744348,-0.03340014,-0.00379621,0.00634654,0.00076543,0.00006370,-
 0.00003753,0.00025571,0.00096536,-0.00094400,-0.00015952,-0.00037648,0
 .00085477,0.00096881,-0.14225488,0.23987984,0.00019900,-0.00004659,0.0
 0002875,-0.00007214,0.00017423,0.00014968,0.00000586,0.00002884,-0.000
 01965,-0.00000091,-0.00002665,-0.00002129,0.00000606,-0.00005921,0.000
 06003,-0.00125430,-0.00122861,0.00726986,-0.00001464,-0.00003736,-0.00
 000299,-0.00001418,-0.00001625,-0.00002092,-0.00000275,0.00001046,0.00
 001090,-0.00032440,0.00007491,-0.00086646,-0.00110612,-0.00256509,0.00
 684245,0.00486782,-0.00474833,0.00131353,0.02020310,-0.03357803,-0.040
 77962,-0.00187505,0.00261698,0.00233056,0.00010377,0.00024420,-0.00117
 245,0.00022361,-0.00028722,0.00016978,0.00021151,0.00101251,-0.0034768
 9,-0.02155767,0.03749988,0.03167300,0.00021738,-0.00072584,0.00020575,
 0.00061258,0.00201001,0.00095244,0.00004504,0.00002353,-0.00005826,-0.
 00000526,-0.00029928,-0.00031426,-0.00008927,0.00000582,-0.00005459,0.
 01064939,0.01636754,0.00395200,-0.00000130,0.00000184,0.00000128,0.000
 03525,-0.00004721,-0.00006220,0.00000432,-0.00000591,0.00004199,-0.001
 92599,0.00326671,0.00019702,-0.00093012,0.00061901,0.00002879,-0.00564
 838,0.00060407,-0.00066696,-0.00724524,-0.03007699,-0.00700651,-0.0970
 0302,-0.09007241,-0.02450321,0.00033740,0.00096109,0.00023694,0.000071
 68,-0.00009617,0.00007527,-0.00047912,-0.00140397,-0.00040951,0.001087
 65,0.00037503,0.00040142,0.10026700,0.00036751,0.00071862,0.00033875,-
 0.00282745,-0.00045350,0.00021707,-0.00013354,-0.00019560,-0.00015296,
 0.00113317,0.00099206,0.00049943,0.00025262,0.00011788,0.00012133,-0.0
 1065361,-0.01962651,-0.00575801,0.00005688,0.00001296,-0.00006021,-0.0
 0009904,0.00006846,0.00011693,0.00001921,0.00000166,-0.00009576,0.0043
 2091,-0.00207935,-0.00164492,0.00079939,0.00030720,0.00028585,-0.00043
 653,0.00232088,-0.00120859,0.00021927,-0.00009070,-0.00025046,-0.09036
 617,-0.27653045,-0.05983768,-0.00075066,-0.00098628,-0.00030249,-0.000
 10619,-0.00009297,0.00024094,0.00013766,-0.00011339,-0.00010204,-0.000
 42655,0.00061288,0.00093130,0.09849313,0.29501615,-0.00056703,0.000500
 33,-0.00005933,0.00074326,0.00124451,-0.00351634,-0.00010649,-0.000046
 80,0.00010940,0.00012670,-0.00049877,-0.00003828,0.00060161,-0.0003274
 4,0.00028282,-0.00255695,-0.00378431,0.00262911,0.00005863,0.00011534,
 -0.00022884,-0.00004305,0.00004834,-0.00002048,0.00003997,0.00010984,-
 0.00020018,0.00055313,-0.00140092,0.00594434,0.00001039,0.00028049,-0.
 00042713,-0.00100023,-0.00117053,0.00707827,-0.00041751,-0.00255042,0.
 00147045,-0.02455721,-0.05997004,-0.05053880,-0.00015104,-0.00023034,0
 .00033190,0.00007231,0.00023681,-0.00120036,-0.00002253,-0.00018743,0.
 00017778,0.00023344,0.00096982,-0.00348827,0.02698261,0.06666151,0.041
 69393\\0.00000890,-0.00000131,0.00000056,-0.00001167,0.00000985,-0.000
 00171,-0.00000284,0.00000350,-0.00000239,0.00000505,-0.00000187,0.0000
 0167,0.00000154,-0.00000137,0.00000500,0.00000477,-0.00002865,-0.00000
 757,0.00000009,-0.00000105,-0.00000172,0.00000048,-0.00000219,0.000002
 10,0.00000004,-0.00000200,0.00000194,0.00001763,0.00001833,0.00000529,
 -0.00002349,0.00001061,0.00000084,0.00000455,-0.00002510,-0.00000504,0
 .00002228,0.00001495,0.00000497,-0.00002893,0.00001046,-0.00000139,-0.
 00000258,-0.00000165,0.00000007,0.00000272,-0.00000079,0.00000191,0.00
 000044,0.00000295,-0.00000093,-0.00000187,-0.00000278,-0.00000134,0.00
 000289,-0.00000189,-0.00000227\\\@


 FAULTILY FAULTLESS, ICILY REGULAR, SPLENDIDLY NULL...
           MAUDE BY TENNYSON
 Job cpu time:       0 days  1 hours 53 minutes 41.5 seconds.
 Elapsed time:       0 days  0 hours 14 minutes 14.8 seconds.
 File lengths (MBytes):  RWF=    227 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:52:51 2021.
